N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

C28H40N4O5 — CID 56639735

IUPACN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCCOc1ccccc1CNC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)[C@@H](C)CC
InChIInChI=1S/C28H40N4O5/c1-4-19(3)25(28(35)29-18-21-13-9-10-14-23(21)36-5-2)32-26(33)22(17-20-11-7-6-8-12-20)31-27(34)24-15-16-30-37-24/h9-10,13-16,19-20,22,25H,4-8,11-12,17-18H2,1-3H3,(H,29,35)(H,31,34)(H,32,33)/t19-,22-,25-/m0/s1
InChIKeyRXMMLMPTRDPQII-JTJYXVOQSA-N
MW512.65 g/mol
LogP3.99
Rot. Bonds13

About N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 56639735) has the molecular formula C28H40N4O5 and a molecular weight of 512.65 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID56639735
Molecular FormulaC28H40N4O5
Molecular Weight512.65 g/mol
Exact Mass512.30
IUPAC NameN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCCOc1ccccc1CNC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)[C@@H](C)CC
InChIInChI=1S/C28H40N4O5/c1-4-19(3)25(28(35)29-18-21-13-9-10-14-23(21)36-5-2)32-26(33)22(17-20-11-7-6-8-12-20)31-27(34)24-15-16-30-37-24/h9-10,13-16,19-20,22,25H,4-8,11-12,17-18H2,1-3H3,(H,29,35)(H,31,34)(H,32,33)/t19-,22-,25-/m0/s1
InChIKeyRXMMLMPTRDPQII-JTJYXVOQSA-N
XLogP3.99
TPSA122.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.65
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)benzamide
CID 24818340
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CID 56639666
N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-1,2-oxazole-5-carboxamide
CID 121316758
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-1,2-oxazole-5-carboxamide
CID 140781127
[(S)-1-((S)-1-{(S)-1-Formyl-2-[(isoxazole-5-carbonyl)-amino]-ethylcarbamoyl}-2-phenyl-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester
CID 516008
5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-3-isoxazolecarboxamide
CID 24794282
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640610
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640611
N-[(2S)-1-[[(2S,3S)-1-[(2-butan-2-yloxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 71511553
N-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide
CID 71769418
N-[(2S)-1-[[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 155539344
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640474

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (CID 56639735) is N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is CCOc1ccccc1CNC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)[C@@H](C)CC.
What is the InChIKey of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is RXMMLMPTRDPQII-JTJYXVOQSA-N. The full InChI is InChI=1S/C28H40N4O5/c1-4-19(3)25(28(35)29-18-21-13-9-10-14-23(21)36-5-2)32-26(33)22(17-20-11-7-6-8-12-20)31-27(34)24-15-16-30-37-24/h9-10,13-16,19-20,22,25H,4-8,11-12,17-18H2,1-3H3,(H,29,35)(H,31,34)(H,32,33)/t19-,22-,25-/m0/s1.
What are the key properties of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 512.65 g/mol, XLogP of 3.99, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56639735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).