N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide

C18H17N3O3 — CID 46093945

IUPACN-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)noc2-c2cccnc2)cc1
InChIInChI=1S/C18H17N3O3/c1-12-16(17(24-21-12)14-4-3-9-19-11-14)18(22)20-10-13-5-7-15(23-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyWZVHKIDLYBSSLM-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.98
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide

N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide (PubChem CID 46093945) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
PubChem CID46093945
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)noc2-c2cccnc2)cc1
InChIInChI=1S/C18H17N3O3/c1-12-16(17(24-21-12)14-4-3-9-19-11-14)18(22)20-10-13-5-7-15(23-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyWZVHKIDLYBSSLM-UHFFFAOYSA-N
XLogP2.98
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46096966
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46097161
5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 110677073
N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371886
N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46093958
N-[(3-methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521077
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide
CID 174823874
5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 46097397
5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46096877
N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096975
5-(4-tert-butylphenyl)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 46096938
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide (CID 46093945) is N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide is COc1ccc(CNC(=O)c2c(C)noc2-c2cccnc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The InChIKey is WZVHKIDLYBSSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-16(17(24-21-12)14-4-3-9-19-11-14)18(22)20-10-13-5-7-15(23-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46093945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).