N-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C23H29N3O4 — CID 146426858

IUPACN-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESC[C@H]1CC(C(=O)[C@@H](N)Cc2ccc(O)cc2)CCC1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C23H29N3O4/c1-13-10-16(22(28)18(24)11-14-2-7-17(27)8-3-14)6-9-19(13)25-23(29)20-12-21(30-26-20)15-4-5-15/h2-3,7-8,12-13,15-16,18-19,27H,4-6,9-11,24H2,1H3,(H,25,29)/t13-,16?,18-,19?/m0/s1
InChIKeySMDDPUXQCFSUTD-CARMTVKVSA-N
MW411.50 g/mol
LogP2.93
Rot. Bonds7

About N-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 146426858) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID146426858
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESC[C@H]1CC(C(=O)[C@@H](N)Cc2ccc(O)cc2)CCC1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C23H29N3O4/c1-13-10-16(22(28)18(24)11-14-2-7-17(27)8-3-14)6-9-19(13)25-23(29)20-12-21(30-26-20)15-4-5-15/h2-3,7-8,12-13,15-16,18-19,27H,4-6,9-11,24H2,1H3,(H,25,29)/t13-,16?,18-,19?/m0/s1
InChIKeySMDDPUXQCFSUTD-CARMTVKVSA-N
XLogP2.93
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 146426858) is N-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is C[C@H]1CC(C(=O)[C@@H](N)Cc2ccc(O)cc2)CCC1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is SMDDPUXQCFSUTD-CARMTVKVSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-13-10-16(22(28)18(24)11-14-2-7-17(27)8-3-14)6-9-19(13)25-23(29)20-12-21(30-26-20)15-4-5-15/h2-3,7-8,12-13,15-16,18-19,27H,4-6,9-11,24H2,1H3,(H,25,29)/t13-,16?,18-,19?/m0/s1.
What are the key properties of N-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-methylcyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146426858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).