5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide

C16H20N2O3 — CID 100632561

IUPAC5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide
SMILESCCCN(C)C(=O)c1c(-c2ccccc2)noc1[C@H](C)O
InChIInChI=1S/C16H20N2O3/c1-4-10-18(3)16(20)13-14(12-8-6-5-7-9-12)17-21-15(13)11(2)19/h5-9,11,19H,4,10H2,1-3H3/t11-/m0/s1
InChIKeyRUDCBLLBSDELHT-NSHDSACASA-N
MW288.35 g/mol
LogP2.88
Rot. Bonds5

About 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide

5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide (PubChem CID 100632561) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide
PubChem CID100632561
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide
SMILESCCCN(C)C(=O)c1c(-c2ccccc2)noc1[C@H](C)O
InChIInChI=1S/C16H20N2O3/c1-4-10-18(3)16(20)13-14(12-8-6-5-7-9-12)17-21-15(13)11(2)19/h5-9,11,19H,4,10H2,1-3H3/t11-/m0/s1
InChIKeyRUDCBLLBSDELHT-NSHDSACASA-N
XLogP2.88
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038
[5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 100632764
3-phenyl-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 21317239
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid
CID 124878175
5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 124876163
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78801211
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 4525526
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone
CID 162800213
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 124875243
N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 17256808
N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 4807520
N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
CID 46023433

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide (CID 100632561) is 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide is CCCN(C)C(=O)c1c(-c2ccccc2)noc1[C@H](C)O.
What is the InChIKey of 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide?
The InChIKey is RUDCBLLBSDELHT-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-10-18(3)16(20)13-14(12-8-6-5-7-9-12)17-21-15(13)11(2)19/h5-9,11,19H,4,10H2,1-3H3/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide?
5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100632561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).