5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

C21H18N4O2 — CID 17022145

IUPAC5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(Cn4cccn4)c3)no2)cc1
InChIInChI=1S/C21H18N4O2/c1-15-6-8-17(9-7-15)20-13-19(24-27-20)21(26)23-18-5-2-4-16(12-18)14-25-11-3-10-22-25/h2-13H,14H2,1H3,(H,23,26)
InChIKeyNHNKEGCOZRNASA-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.15
Rot. Bonds5

About 5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 17022145) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID17022145
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(Cn4cccn4)c3)no2)cc1
InChIInChI=1S/C21H18N4O2/c1-15-6-8-17(9-7-15)20-13-19(24-27-20)21(26)23-18-5-2-4-16(12-18)14-25-11-3-10-22-25/h2-13H,14H2,1H3,(H,23,26)
InChIKeyNHNKEGCOZRNASA-UHFFFAOYSA-N
XLogP4.15
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39697430
N-(3-ethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285951
2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 39696626
5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 46952038
5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 3236497
5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 55612844
2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46424038
3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 46975885
6-(furan-2-yl)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55610716
1-[(2-chloro-5-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19275649
1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19268564

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 17022145) is 5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cccc(Cn4cccn4)c3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NHNKEGCOZRNASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-15-6-8-17(9-7-15)20-13-19(24-27-20)21(26)23-18-5-2-4-16(12-18)14-25-11-3-10-22-25/h2-13H,14H2,1H3,(H,23,26).
What are the key properties of 5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17022145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).