N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide

C129H151Br2N21O18 — CID 159575421

About N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide

N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 159575421) has the molecular formula C129H151Br2N21O18 and a molecular weight of 2443.56 g/mol. Its IUPAC name is N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 159575421
• Molecular Formula: C129H151Br2N21O18
• Molecular Weight: 2443.56 g/mol
• Exact Mass: 2439.99
• IUPAC Name: N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
• SMILES: CCCCNC(=O)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1Br.C[C@@H](N)C(=O)N1CCC(C(NC(=O)c2cc(C3CC3)on2)c2ccccc2)CC1.C[C@H](N)C(=O)N1CCC(C(NC(=O)c2cc(C3CC3)on2)c2ccccc2)CC1.Cc1cc(C(=O)NC2CCNCC2)ccc1NC(=O)c1cc(C2CC2)on1.O=C(Nc1ccc(C(=O)NC2CCCCC2)c(Br)c1)c1cc(C2CC2)on1.O=C(Nc1ccccc1)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCCCC2)c1
• InChI: InChI=1S/C27H29N3O3.2C22H28N4O3.C20H22BrN3O3.C20H24N4O3.C18H20BrN3O3/c31-26(28-22-12-5-2-6-13-22)21-11-7-10-20(16-21)25(19-8-3-1-4-9-19)29-27(32)23-17-24(33-30-23)18-14-15-18;2*1-14(23)22(28)26-11-9-17(10-12-26)20(16-5-3-2-4-6-16)24-21(27)18-13-19(29-25-18)15-7-8-15;21-16-10-14(23-20(26)17-11-18(27-24-17)12-6-7-12)8-9-15(16)19(25)22-13-4-2-1-3-5-13;1-12-10-14(19(25)22-15-6-8-21-9-7-15)4-5-16(12)23-20(26)17-11-18(27-24-17)13-2-3-13;1-2-3-8-20-17(23)13-7-6-12(9-14(13)19)21-18(24)15-10-16(25-22-15)11-4-5-11/h2,5-7,10-13,16-19,25H,1,3-4,8-9,14-15H2,(H,28,31)(H,29,32);2*2-6,13-15,17,20H,7-12,23H2,1H3,(H,24,27);8-13H,1-7H2,(H,22,25)(H,23,26);4-5,10-11,13,15,21H,2-3,6-9H2,1H3,(H,22,25)(H,23,26);6-7,9-11H,2-5,8H2,1H3,(H,20,23)(H,21,24)/t;2*14-,20?;;;/m.10.../s1
• InChIKey: MIIPKEQMUUWWAJ-BMEVAIEMSA-N
• XLogP: 22.39
• TPSA: 551.87 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 27
• Rotatable Bonds: 36
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2443.56
LogP ≤ 5	22.39
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide (CID 159575421) is N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide is CCCCNC(=O)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1Br.C[C@@H](N)C(=O)N1CCC(C(NC(=O)c2cc(C3CC3)on2)c2ccccc2)CC1.C[C@H](N)C(=O)N1CCC(C(NC(=O)c2cc(C3CC3)on2)c2ccccc2)CC1.Cc1cc(C(=O)NC2CCNCC2)ccc1NC(=O)c1cc(C2CC2)on1.O=C(Nc1ccc(C(=O)NC2CCCCC2)c(Br)c1)c1cc(C2CC2)on1.O=C(Nc1ccccc1)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCCCC2)c1.

What is the InChIKey of N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide?

The InChIKey is MIIPKEQMUUWWAJ-BMEVAIEMSA-N. The full InChI is InChI=1S/C27H29N3O3.2C22H28N4O3.C20H22BrN3O3.C20H24N4O3.C18H20BrN3O3/c31-26(28-22-12-5-2-6-13-22)21-11-7-10-20(16-21)25(19-8-3-1-4-9-19)29-27(32)23-17-24(33-30-23)18-14-15-18;2*1-14(23)22(28)26-11-9-17(10-12-26)20(16-5-3-2-4-6-16)24-21(27)18-13-19(29-25-18)15-7-8-15;21-16-10-14(23-20(26)17-11-18(27-24-17)12-6-7-12)8-9-15(16)19(25)22-13-4-2-1-3-5-13;1-12-10-14(19(25)22-15-6-8-21-9-7-15)4-5-16(12)23-20(26)17-11-18(27-24-17)13-2-3-13;1-2-3-8-20-17(23)13-7-6-12(9-14(13)19)21-18(24)15-10-16(25-22-15)11-4-5-11/h2,5-7,10-13,16-19,25H,1,3-4,8-9,14-15H2,(H,28,31)(H,29,32);2*2-6,13-15,17,20H,7-12,23H2,1H3,(H,24,27);8-13H,1-7H2,(H,22,25)(H,23,26);4-5,10-11,13,15,21H,2-3,6-9H2,1H3,(H,22,25)(H,23,26);6-7,9-11H,2-5,8H2,1H3,(H,20,23)(H,21,24)/t;2*14-,20?;;;/m.10.../s1.

What are the key properties of N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide?

N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 2443.56 g/mol, XLogP of 22.39, 36 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-phenylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(butylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[2-methyl-4-(piperidin-4-ylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 159575421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).