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

C20H17N5O2 — CID 38497755

IUPAC3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cn4cncn4)cc3)on2)cc1
InChIInChI=1S/C20H17N5O2/c1-14-2-6-16(7-3-14)18-10-19(27-24-18)20(26)23-17-8-4-15(5-9-17)11-25-13-21-12-22-25/h2-10,12-13H,11H2,1H3,(H,23,26)
InChIKeyLBODQMZWEWFSKJ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.54
Rot. Bonds5

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

3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 38497755) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID38497755
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cn4cncn4)cc3)on2)cc1
InChIInChI=1S/C20H17N5O2/c1-14-2-6-16(7-3-14)18-10-19(27-24-18)20(26)23-17-8-4-15(5-9-17)11-25-13-21-12-22-25/h2-10,12-13H,11H2,1H3,(H,23,26)
InChIKeyLBODQMZWEWFSKJ-UHFFFAOYSA-N
XLogP3.54
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55843020
N-[(4-methylphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673355
ethyl 4-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]benzoate
CID 42063924
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
3-tert-butyl-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 78898253
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803
1-[(4-methylphenyl)methyl]-1,2,4-triazole;hydrochloride
CID 20552296
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride
CID 171667402
3-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62851988
2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62832697
N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427554

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide (CID 38497755) is 3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(Cn4cncn4)cc3)on2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is LBODQMZWEWFSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-14-2-6-16(7-3-14)18-10-19(27-24-18)20(26)23-17-8-4-15(5-9-17)11-25-13-21-12-22-25/h2-10,12-13H,11H2,1H3,(H,23,26).
What are the key properties of 3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide?
3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 38497755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).