N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

C18H24N2O4 — CID 166743704

IUPACN-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCCC(C)(C)CO)no1
InChIInChI=1S/C18H24N2O4/c1-18(2,12-21)9-6-10-19-17(22)14-11-16(24-20-14)13-7-4-5-8-15(13)23-3/h4-5,7-8,11,21H,6,9-10,12H2,1-3H3,(H,19,22)
InChIKeyLGJOQZSGRSLDSU-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.88
Rot. Bonds8

About N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 166743704) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID166743704
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCCC(C)(C)CO)no1
InChIInChI=1S/C18H24N2O4/c1-18(2,12-21)9-6-10-19-17(22)14-11-16(24-20-14)13-7-4-5-8-15(13)23-3/h4-5,7-8,11,21H,6,9-10,12H2,1-3H3,(H,19,22)
InChIKeyLGJOQZSGRSLDSU-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 37340430
5-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 15988743
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46474674
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46963594
5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46417466
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093872
5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide
CID 94809649
5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 46417646
N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3245080
5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 37342704
5-(2-methoxyphenyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42461695

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 166743704) is N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)NCCCC(C)(C)CO)no1.
What is the InChIKey of N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LGJOQZSGRSLDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-18(2,12-21)9-6-10-19-17(22)14-11-16(24-20-14)13-7-4-5-8-15(13)23-3/h4-5,7-8,11,21H,6,9-10,12H2,1-3H3,(H,19,22).
What are the key properties of N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166743704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).