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

C23H22N4O3 — CID 46971958

IUPAC3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(C(NC(=O)c2cc(-c3cnn(C)c3C)no2)c2ccccc2)c1
InChIInChI=1S/C23H22N4O3/c1-15-19(14-24-27(15)2)20-13-21(30-26-20)23(28)25-22(16-8-5-4-6-9-16)17-10-7-11-18(12-17)29-3/h4-14,22H,1-3H3,(H,25,28)
InChIKeyCIKQUYOQNBLYLZ-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.91
Rot. Bonds6

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

3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide (PubChem CID 46971958) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide
PubChem CID46971958
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(C(NC(=O)c2cc(-c3cnn(C)c3C)no2)c2ccccc2)c1
InChIInChI=1S/C23H22N4O3/c1-15-19(14-24-27(15)2)20-13-21(30-26-20)23(28)25-22(16-8-5-4-6-9-16)17-10-7-11-18(12-17)29-3/h4-14,22H,1-3H3,(H,25,28)
InChIKeyCIKQUYOQNBLYLZ-UHFFFAOYSA-N
XLogP3.91
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 46969896
3-(4-methoxyphenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 51688774
N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 46971285
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 124893849
4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 6467522
N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 19590800
N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
CID 18166420
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 105086489
4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65356173
[(4-chloro-1-methylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191750
[(3-methoxyphenyl)-phenylmethyl]hydrazine
CID 105191567
5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide
CID 46957710

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide (CID 46971958) is 3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide is COc1cccc(C(NC(=O)c2cc(-c3cnn(C)c3C)no2)c2ccccc2)c1.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is CIKQUYOQNBLYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-19(14-24-27(15)2)20-13-21(30-26-20)23(28)25-22(16-8-5-4-6-9-16)17-10-7-11-18(12-17)29-3/h4-14,22H,1-3H3,(H,25,28).
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide?
3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46971958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).