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

C19H19N3O4 — CID 162939070

IUPAC5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2noc(C(C)O)c2C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C19H19N3O4/c1-12(23)18-16(19(24)21-11-13-7-9-20-10-8-13)17(22-26-18)14-3-5-15(25-2)6-4-14/h3-10,12,23H,11H2,1-2H3,(H,21,24)
InChIKeyMNVVDYWPYPALNP-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.73
Rot. Bonds6

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

5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 162939070) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID162939070
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2noc(C(C)O)c2C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C19H19N3O4/c1-12(23)18-16(19(24)21-11-13-7-9-20-10-8-13)17(22-26-18)14-3-5-15(25-2)6-4-14/h3-10,12,23H,11H2,1-2H3,(H,21,24)
InChIKeyMNVVDYWPYPALNP-UHFFFAOYSA-N
XLogP2.73
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 162801131
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 91198346
[5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
CID 162846787
5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 163093181
3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
CID 162800240
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 100631385
N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 2272217
5-[1-[(4-methoxyphenyl)methylamino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 162807901
5-methyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 134054985
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773953

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide (CID 162939070) is 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide is COc1ccc(-c2noc(C(C)O)c2C(=O)NCc2ccncc2)cc1.
What is the InChIKey of 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is MNVVDYWPYPALNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12(23)18-16(19(24)21-11-13-7-9-20-10-8-13)17(22-26-18)14-3-5-15(25-2)6-4-14/h3-10,12,23H,11H2,1-2H3,(H,21,24).
What are the key properties of 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide?
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162939070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).