5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide

C14H16N2O4 — CID 162801131

IUPAC5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
SMILESCNC(=O)c1c(-c2ccc(OC)cc2)noc1C(C)O
InChIInChI=1S/C14H16N2O4/c1-8(17)13-11(14(18)15-2)12(16-20-13)9-4-6-10(19-3)7-5-9/h4-8,17H,1-3H3,(H,15,18)
InChIKeyUTUUWIBMHKCFCW-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.76
Rot. Bonds4

About 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide

5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide (PubChem CID 162801131) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
PubChem CID162801131
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
SMILESCNC(=O)c1c(-c2ccc(OC)cc2)noc1C(C)O
InChIInChI=1S/C14H16N2O4/c1-8(17)13-11(14(18)15-2)12(16-20-13)9-4-6-10(19-3)7-5-9/h4-8,17H,1-3H3,(H,15,18)
InChIKeyUTUUWIBMHKCFCW-UHFFFAOYSA-N
XLogP1.76
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide
CID 162939070
[5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
CID 162846787
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 100631385
5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 163062920
N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 124877849
4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 163101755
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone
CID 124875106
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 75368231
N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162880928
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid
CID 124878175
3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
CID 162800240

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide (CID 162801131) is 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide is CNC(=O)c1c(-c2ccc(OC)cc2)noc1C(C)O.
What is the InChIKey of 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UTUUWIBMHKCFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(17)13-11(14(18)15-2)12(16-20-13)9-4-6-10(19-3)7-5-9/h4-8,17H,1-3H3,(H,15,18).
What are the key properties of 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide?
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162801131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).