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

C21H22N6O3 — CID 46969896

IUPAC3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(C(NC(=O)c2cc(-c3cn(C)nc3C)no2)c2nccn2C)c1
InChIInChI=1S/C21H22N6O3/c1-13-16(12-27(3)24-13)17-11-18(30-25-17)21(28)23-19(20-22-8-9-26(20)2)14-6-5-7-15(10-14)29-4/h5-12,19H,1-4H3,(H,23,28)
InChIKeyUHZKMRSZXFTUER-UHFFFAOYSA-N
MW406.45 g/mol
LogP2.65
Rot. Bonds6

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

3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 46969896) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID46969896
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(C(NC(=O)c2cc(-c3cn(C)nc3C)no2)c2nccn2C)c1
InChIInChI=1S/C21H22N6O3/c1-13-16(12-27(3)24-13)17-11-18(30-25-17)21(28)23-19(20-22-8-9-26(20)2)14-6-5-7-15(10-14)29-4/h5-12,19H,1-4H3,(H,23,28)
InChIKeyUHZKMRSZXFTUER-UHFFFAOYSA-N
XLogP2.65
TPSA100.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
CID 51269162
7-bromo-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 55685720
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide
CID 46971958
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
3-acetamido-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923239
2,4-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269170
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(methylsulfinylmethyl)benzamide
CID 134024613
3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014722
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitrobenzamide
CID 51269163
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide (CID 46969896) is 3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide is COc1cccc(C(NC(=O)c2cc(-c3cn(C)nc3C)no2)c2nccn2C)c1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is UHZKMRSZXFTUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-13-16(12-27(3)24-13)17-11-18(30-25-17)21(28)23-19(20-22-8-9-26(20)2)14-6-5-7-15(10-14)29-4/h5-12,19H,1-4H3,(H,23,28).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46969896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).