3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide

C16H19ClN2O3 — CID 111477071

IUPAC3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)NCC(O)c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H19ClN2O3/c1-3-10(2)13-8-15(22-19-13)16(21)18-9-14(20)11-4-6-12(17)7-5-11/h4-8,10,14,20H,3,9H2,1-2H3,(H,18,21)
InChIKeyDLOFLTUMGVWEIK-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.30
Rot. Bonds6

About 3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide

3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide (PubChem CID 111477071) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
PubChem CID111477071
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)NCC(O)c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H19ClN2O3/c1-3-10(2)13-8-15(22-19-13)16(21)18-9-14(20)11-4-6-12(17)7-5-11/h4-8,10,14,20H,3,9H2,1-2H3,(H,18,21)
InChIKeyDLOFLTUMGVWEIK-UHFFFAOYSA-N
XLogP3.30
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-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

3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
CID 71990790
N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 100717123
N-[2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 119040347
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111477467
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide
CID 110001735
3-butan-2-yl-N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 111459570
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109468532
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110279895
3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide
CID 111471313
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95761796

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide (CID 111477071) is 3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide is CCC(C)c1cc(C(=O)NCC(O)c2ccc(Cl)cc2)on1.
What is the InChIKey of 3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is DLOFLTUMGVWEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-3-10(2)13-8-15(22-19-13)16(21)18-9-14(20)11-4-6-12(17)7-5-11/h4-8,10,14,20H,3,9H2,1-2H3,(H,18,21).
What are the key properties of 3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide?
3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 322.79 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 111477071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).