N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide

C30H38N4O5 — CID 10230392

About N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide

N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide (PubChem CID 10230392) has the molecular formula C30H38N4O5 and a molecular weight of 534.66 g/mol. Its IUPAC name is N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide
• PubChem CID: 10230392
• Molecular Formula: C30H38N4O5
• Molecular Weight: 534.66 g/mol
• Exact Mass: 534.28
• IUPAC Name: N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide
• SMILES: CC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2ccccc12)C(=O)c1nn(CC(C)C)c(=O)o1
• InChI: InChI=1S/C30H38N4O5/c1-18(2)16-25(26(35)29-33-34(17-19(3)4)30(38)39-29)32-28(37)23-13-7-8-15-24(23)31-27(36)22-14-9-11-20-10-5-6-12-21(20)22/h5-6,9-12,14,18-19,23-25H,7-8,13,15-17H2,1-4H3,(H,31,36)(H,32,37)/t23-,24+,25+/m1/s1
• InChIKey: GBMDTMMWPFFFEZ-DSITVLBTSA-N
• XLogP: 4.35
• TPSA: 123.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.66
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide?

The IUPAC name of N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide (CID 10230392) is N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide.

What is the SMILES notation for N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide?

The canonical SMILES for N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2ccccc12)C(=O)c1nn(CC(C)C)c(=O)o1.

What is the InChIKey of N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide?

The InChIKey is GBMDTMMWPFFFEZ-DSITVLBTSA-N. The full InChI is InChI=1S/C30H38N4O5/c1-18(2)16-25(26(35)29-33-34(17-19(3)4)30(38)39-29)32-28(37)23-13-7-8-15-24(23)31-27(36)22-14-9-11-20-10-5-6-12-21(20)22/h5-6,9-12,14,18-19,23-25H,7-8,13,15-17H2,1-4H3,(H,31,36)(H,32,37)/t23-,24+,25+/m1/s1.

What are the key properties of N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide?

N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide has a molecular weight of 534.66 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-[[(2S)-4-methyl-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]cyclohexyl]naphthalene-1-carboxamide is sourced from PubChem (CID 10230392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).