N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide

C30H43N3O4 — CID 157329794

IUPACN-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCC[C@H](C)C(CC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccc(C)c(C)c1C
InChIInChI=1S/C30H43N3O4/c1-6-19(2)25(29(35)31-18-24-13-12-20(3)21(4)22(24)5)17-27(34)26(16-23-10-8-7-9-11-23)33-30(36)28-14-15-32-37-28/h12-15,19,23,25-26H,6-11,16-18H2,1-5H3,(H,31,35)(H,33,36)/t19-,25?,26-/m0/s1
InChIKeyBFDPRDZQKZBNFO-JKEZHHNBSA-N
MW509.69 g/mol
LogP5.61
Rot. Bonds12

About N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide

N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 157329794) has the molecular formula C30H43N3O4 and a molecular weight of 509.69 g/mol. Its IUPAC name is N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID157329794
Molecular FormulaC30H43N3O4
Molecular Weight509.69 g/mol
Exact Mass509.33
IUPAC NameN-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCC[C@H](C)C(CC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccc(C)c(C)c1C
InChIInChI=1S/C30H43N3O4/c1-6-19(2)25(29(35)31-18-24-13-12-20(3)21(4)22(24)5)17-27(34)26(16-23-10-8-7-9-11-23)33-30(36)28-14-15-32-37-28/h12-15,19,23,25-26H,6-11,16-18H2,1-5H3,(H,31,35)(H,33,36)/t19-,25?,26-/m0/s1
InChIKeyBFDPRDZQKZBNFO-JKEZHHNBSA-N
XLogP5.61
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.69
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide
CID 158369028
(2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine
CID 158569614
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
N-[(2S)-1-[[(2S,3S)-1-[(2-chlorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56639806
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[(2-propan-2-yloxyphenyl)methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56639803
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-phenylpiperidin-1-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640042
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640175
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[3-(2-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640248
N-[(2S)-1-[[(2S,3S)-1-[4-[2,4-bis(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 134138592
N-(1-cyclopropylethyl)-1,2-oxazole-5-carboxamide
CID 130718675
2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide
CID 115152411
N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 162644186

Frequently Asked Questions

What is the IUPAC name of N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide (CID 157329794) is N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide is CC[C@H](C)C(CC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccc(C)c(C)c1C.
What is the InChIKey of N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is BFDPRDZQKZBNFO-JKEZHHNBSA-N. The full InChI is InChI=1S/C30H43N3O4/c1-6-19(2)25(29(35)31-18-24-13-12-20(3)21(4)22(24)5)17-27(34)26(16-23-10-8-7-9-11-23)33-30(36)28-14-15-32-37-28/h12-15,19,23,25-26H,6-11,16-18H2,1-5H3,(H,31,35)(H,33,36)/t19-,25?,26-/m0/s1.
What are the key properties of N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide?
N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 509.69 g/mol, XLogP of 5.61, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 157329794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).