N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen

C29H46N4O7 — CID 144719119

About N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen

N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen (PubChem CID 144719119) has the molecular formula C29H46N4O7 and a molecular weight of 562.71 g/mol. Its IUPAC name is N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen
• PubChem CID: 144719119
• Molecular Formula: C29H46N4O7
• Molecular Weight: 562.71 g/mol
• Exact Mass: 562.34
• IUPAC Name: N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen
• SMILES: COc1ccc(C)cc1.Cc1cc(C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)on1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C21H30N4O6.C8H10O.3H2/c1-12-8-16(31-25-12)20(29)23-13(2)19(28)22-10-17(26)24-15(9-14-6-4-5-7-14)18(27)21(3)11-30-21;1-7-3-5-8(9-2)6-4-7;;;/h8,13-15H,4-7,9-11H2,1-3H3,(H,22,28)(H,23,29)(H,24,26);3-6H,1-2H3;3*1H/t13-,15-,21+;;;;/m0..../s1
• InChIKey: LBXHLJYOOLPPPA-CMBGRKEBSA-N
• XLogP: 3.38
• TPSA: 152.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.71
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen?

The IUPAC name of N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen (CID 144719119) is N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen.

What is the SMILES notation for N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen?

The canonical SMILES for N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen is COc1ccc(C)cc1.Cc1cc(C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)on1.[H][H].[H][H].[H][H].

What is the InChIKey of N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen?

The InChIKey is LBXHLJYOOLPPPA-CMBGRKEBSA-N. The full InChI is InChI=1S/C21H30N4O6.C8H10O.3H2/c1-12-8-16(31-25-12)20(29)23-13(2)19(28)22-10-17(26)24-15(9-14-6-4-5-7-14)18(27)21(3)11-30-21;1-7-3-5-8(9-2)6-4-7;;;/h8,13-15H,4-7,9-11H2,1-3H3,(H,22,28)(H,23,29)(H,24,26);3-6H,1-2H3;3*1H/t13-,15-,21+;;;;/m0..../s1.

What are the key properties of N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen?

N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen has a molecular weight of 562.71 g/mol, XLogP of 3.38, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen is sourced from PubChem (CID 144719119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).