N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide

C18H24N2O4 — CID 111477467

IUPACN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(C(=O)NCC(O)c2cccc(OC)c2)on1
InChIInChI=1S/C18H24N2O4/c1-4-12(5-2)15-10-17(24-20-15)18(22)19-11-16(21)13-7-6-8-14(9-13)23-3/h6-10,12,16,21H,4-5,11H2,1-3H3,(H,19,22)
InChIKeyBPVPFCZFYSWQOR-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.05
Rot. Bonds8

About N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide (PubChem CID 111477467) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
PubChem CID111477467
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(C(=O)NCC(O)c2cccc(OC)c2)on1
InChIInChI=1S/C18H24N2O4/c1-4-12(5-2)15-10-17(24-20-15)18(22)19-11-16(21)13-7-6-8-14(9-13)23-3/h6-10,12,16,21H,4-5,11H2,1-3H3,(H,19,22)
InChIKeyBPVPFCZFYSWQOR-UHFFFAOYSA-N
XLogP3.05
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-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

methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 111115461
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide
CID 111477459
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
2-[ethyl(methyl)amino]-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111115516
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 111115593
1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116760
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
CID 111115210
3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
CID 111477071
1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116787
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide (CID 111477467) is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide is CCC(CC)c1cc(C(=O)NCC(O)c2cccc(OC)c2)on1.
What is the InChIKey of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The InChIKey is BPVPFCZFYSWQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-4-12(5-2)15-10-17(24-20-15)18(22)19-11-16(21)13-7-6-8-14(9-13)23-3/h6-10,12,16,21H,4-5,11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 111477467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).