N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide

C21H17N3O2 — CID 743077

IUPACN-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)cc1C
InChIInChI=1S/C21H17N3O2/c1-13-5-6-15(10-14(13)2)21-24-18-11-17(7-8-19(18)26-21)23-20(25)16-4-3-9-22-12-16/h3-12H,1-2H3,(H,23,25)
InChIKeyGMVAPNWKQNTGTC-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.76
Rot. Bonds3

About N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide

N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide (PubChem CID 743077) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
PubChem CID743077
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)cc1C
InChIInChI=1S/C21H17N3O2/c1-13-5-6-15(10-14(13)2)21-24-18-11-17(7-8-19(18)26-21)23-20(25)16-4-3-9-22-12-16/h3-12H,1-2H3,(H,23,25)
InChIKeyGMVAPNWKQNTGTC-UHFFFAOYSA-N
XLogP4.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 1114177
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide
CID 3395409
N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 645017
N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 17127588
3-bromo-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 5120026
4-bromo-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 5254350
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
CID 3400845
N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 778969
N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide
CID 23959755
5-(3,4-dimethylphenyl)-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]furan-2-carboxamide
CID 5026947
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide (CID 743077) is N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide is Cc1ccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The InChIKey is GMVAPNWKQNTGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-5-6-15(10-14(13)2)21-24-18-11-17(7-8-19(18)26-21)23-20(25)16-4-3-9-22-12-16/h3-12H,1-2H3,(H,23,25).
What are the key properties of N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 743077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).