(4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide

C26H31N3O3 — CID 10550753

IUPAC(4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide
SMILESC[C@]1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)COC(c2ccccc2)=N1
InChIInChI=1S/C26H31N3O3/c1-26(18-32-24(29-26)20-13-7-3-8-14-20)25(31)28-22(17-19-11-5-2-6-12-19)23(30)27-21-15-9-4-10-16-21/h2-3,5-8,11-14,21-22H,4,9-10,15-18H2,1H3,(H,27,30)(H,28,31)/t22-,26+/m0/s1
InChIKeyDPJBFNHLEZAQPD-BKMJKUGQSA-N
MW433.55 g/mol
LogP3.40
Rot. Bonds7

About (4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide

(4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide (PubChem CID 10550753) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is (4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide
PubChem CID10550753
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name(4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide
SMILESC[C@]1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)COC(c2ccccc2)=N1
InChIInChI=1S/C26H31N3O3/c1-26(18-32-24(29-26)20-13-7-3-8-14-20)25(31)28-22(17-19-11-5-2-6-12-19)23(30)27-21-15-9-4-10-16-21/h2-3,5-8,11-14,21-22H,4,9-10,15-18H2,1H3,(H,27,30)(H,28,31)/t22-,26+/m0/s1
InChIKeyDPJBFNHLEZAQPD-BKMJKUGQSA-N
XLogP3.40
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 3523242
N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-2-(1-hydroxyethyl)but-3-enamide
CID 123189621
(2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 58928015
N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide
CID 111332048
(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
CID 95291680
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93140608
N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 22422631
(2S)-2-acetamido-3-phenylpropanoic acid;N-cyclohexylcyclohexanamine
CID 71411659
N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide
CID 7064689
2-methyl-N-[(2S)-1-[[(1S,2S)-2-[[(2S)-2-(2-methylprop-2-enoylamino)-3-phenylpropanoyl]amino]cyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide
CID 101156220

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide (CID 10550753) is (4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide is C[C@]1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)COC(c2ccccc2)=N1.
What is the InChIKey of (4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide?
The InChIKey is DPJBFNHLEZAQPD-BKMJKUGQSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-26(18-32-24(29-26)20-13-7-3-8-14-20)25(31)28-22(17-19-11-5-2-6-12-19)23(30)27-21-15-9-4-10-16-21/h2-3,5-8,11-14,21-22H,4,9-10,15-18H2,1H3,(H,27,30)(H,28,31)/t22-,26+/m0/s1.
What are the key properties of (4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide?
(4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 10550753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).