5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

C17H14N4O3 — CID 57394802

IUPAC5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1cccc(-c2ocnc2C(=O)NCc2ccncc2)c1
InChIInChI=1S/C17H14N4O3/c18-16(22)13-3-1-2-12(8-13)15-14(21-10-24-15)17(23)20-9-11-4-6-19-7-5-11/h1-8,10H,9H2,(H2,18,22)(H,20,23)
InChIKeyCMVWBPVSUGWWDZ-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.77
Rot. Bonds5

About 5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 57394802) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID57394802
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1cccc(-c2ocnc2C(=O)NCc2ccncc2)c1
InChIInChI=1S/C17H14N4O3/c18-16(22)13-3-1-2-12(8-13)15-14(21-10-24-15)17(23)20-9-11-4-6-19-7-5-11/h1-8,10H,9H2,(H2,18,22)(H,20,23)
InChIKeyCMVWBPVSUGWWDZ-UHFFFAOYSA-N
XLogP1.77
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963803
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963781
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57394803
3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68651367
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 3232242
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689223
5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57396563
5-[3-(2-carboxyacetyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 18548731
N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 123475335
N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 123882296
5-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963569

Frequently Asked Questions

What is the IUPAC name of 5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (CID 57394802) is 5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is NC(=O)c1cccc(-c2ocnc2C(=O)NCc2ccncc2)c1.
What is the InChIKey of 5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CMVWBPVSUGWWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c18-16(22)13-3-1-2-12(8-13)15-14(21-10-24-15)17(23)20-9-11-4-6-19-7-5-11/h1-8,10H,9H2,(H2,18,22)(H,20,23).
What are the key properties of 5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57394802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).