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

C21H17N3O2 — CID 130446005

IUPACN-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc2oc(-c3ccc(CNC(=O)c4cccnc4)cc3)nc2c1
InChIInChI=1S/C21H17N3O2/c1-14-4-9-19-18(11-14)24-21(26-19)16-7-5-15(6-8-16)12-23-20(25)17-3-2-10-22-13-17/h2-11,13H,12H2,1H3,(H,23,25)
InChIKeyMNQKDRFUCPQLMF-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.13
Rot. Bonds4

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

N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 130446005) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID130446005
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc2oc(-c3ccc(CNC(=O)c4cccnc4)cc3)nc2c1
InChIInChI=1S/C21H17N3O2/c1-14-4-9-19-18(11-14)24-21(26-19)16-7-5-15(6-8-16)12-23-20(25)17-3-2-10-22-13-17/h2-11,13H,12H2,1H3,(H,23,25)
InChIKeyMNQKDRFUCPQLMF-UHFFFAOYSA-N
XLogP4.13
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 645017
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17163458
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 743077
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 17078844
N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 17127588
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide
CID 17163482
N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 3338118
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide (CID 130446005) is N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide is Cc1ccc2oc(-c3ccc(CNC(=O)c4cccnc4)cc3)nc2c1.
What is the InChIKey of N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is MNQKDRFUCPQLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14-4-9-19-18(11-14)24-21(26-19)16-7-5-15(6-8-16)12-23-20(25)17-3-2-10-22-13-17/h2-11,13H,12H2,1H3,(H,23,25).
What are the key properties of N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide?
N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 130446005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).