azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine

C67H91N5O12 — CID 172917366

About azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine

azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine (PubChem CID 172917366) has the molecular formula C67H91N5O12 and a molecular weight of 1158.49 g/mol. Its IUPAC name is azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine.

Molecular Properties

• Compound Name: azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine
• PubChem CID: 172917366
• Molecular Formula: C67H91N5O12
• Molecular Weight: 1158.49 g/mol
• Exact Mass: 1157.67
• IUPAC Name: azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine
• SMILES: CC(C)Oc1ccccc1/C=N/O.CC(C)Oc1ccccc1C=O.CC[C@H](C)[C@H](CC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC(C)C.Cc1ccccc1OC(C)C.N.O=Cc1ccccc1O
• InChI: InChI=1S/C30H43N3O5.C10H13NO2.C10H12O2.C10H14O.C7H6O2.H3N/c1-5-21(4)24(29(35)31-19-23-13-9-10-14-27(23)37-20(2)3)18-26(34)25(17-22-11-7-6-8-12-22)33-30(36)28-15-16-32-38-28;1-8(2)13-10-6-4-3-5-9(10)7-11-12;1-8(2)12-10-6-4-3-5-9(10)7-11;1-8(2)11-10-7-5-4-6-9(10)3;8-5-6-3-1-2-4-7(6)9;/h9-10,13-16,20-22,24-25H,5-8,11-12,17-19H2,1-4H3,(H,31,35)(H,33,36);3-8,12H,1-2H3;3-8H,1-2H3;4-8H,1-3H3;1-5,9H;1H3/b;11-7+;;;;/t21-,24-,25-;;;;;/m0...../s1
• InChIKey: PWCIDXDRYOAIJC-FFBKKUJJSA-N
• XLogP: 14.19
• TPSA: 260.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 23
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1158.49
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine?

The IUPAC name of azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine (CID 172917366) is azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine.

What is the SMILES notation for azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine?

The canonical SMILES for azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine is CC(C)Oc1ccccc1/C=N/O.CC(C)Oc1ccccc1C=O.CC[C@H](C)[C@H](CC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC(C)C.Cc1ccccc1OC(C)C.N.O=Cc1ccccc1O.

What is the InChIKey of azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine?

The InChIKey is PWCIDXDRYOAIJC-FFBKKUJJSA-N. The full InChI is InChI=1S/C30H43N3O5.C10H13NO2.C10H12O2.C10H14O.C7H6O2.H3N/c1-5-21(4)24(29(35)31-19-23-13-9-10-14-27(23)37-20(2)3)18-26(34)25(17-22-11-7-6-8-12-22)33-30(36)28-15-16-32-38-28;1-8(2)13-10-6-4-3-5-9(10)7-11-12;1-8(2)12-10-6-4-3-5-9(10)7-11;1-8(2)11-10-7-5-4-6-9(10)3;8-5-6-3-1-2-4-7(6)9;/h9-10,13-16,20-22,24-25H,5-8,11-12,17-19H2,1-4H3,(H,31,35)(H,33,36);3-8,12H,1-2H3;3-8H,1-2H3;4-8H,1-3H3;1-5,9H;1H3/b;11-7+;;;;/t21-,24-,25-;;;;;/m0...../s1.

What are the key properties of azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine?

azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine has a molecular weight of 1158.49 g/mol, XLogP of 14.19, 23 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 172917366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).