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

C20H14ClN3O2 — CID 54858852

IUPACN-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cc2nc3cc(Cl)ccc3o2)cc1)c1cccnc1
InChIInChI=1S/C20H14ClN3O2/c21-15-5-8-18-17(11-15)24-19(26-18)10-13-3-6-16(7-4-13)23-20(25)14-2-1-9-22-12-14/h1-9,11-12H,10H2,(H,23,25)
InChIKeyGJULOBYUDXQVPG-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.72
Rot. Bonds4

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

N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 54858852) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide
PubChem CID54858852
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC NameN-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cc2nc3cc(Cl)ccc3o2)cc1)c1cccnc1
InChIInChI=1S/C20H14ClN3O2/c21-15-5-8-18-17(11-15)24-19(26-18)10-13-3-6-16(7-4-13)23-20(25)14-2-1-9-22-12-14/h1-9,11-12H,10H2,(H,23,25)
InChIKeyGJULOBYUDXQVPG-UHFFFAOYSA-N
XLogP4.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
CID 1389021
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
CID 1365609
3,6-dichloro-N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 54858521
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutanamide
CID 54857895
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 54858481
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306
4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857949
2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858538
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylsulfanylacetamide
CID 16729603
2-(4-bromophenoxy)-N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858696
4-tert-butyl-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857974

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide (CID 54858852) is N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Cc2nc3cc(Cl)ccc3o2)cc1)c1cccnc1.
What is the InChIKey of N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is GJULOBYUDXQVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c21-15-5-8-18-17(11-15)24-19(26-18)10-13-3-6-16(7-4-13)23-20(25)14-2-1-9-22-12-14/h1-9,11-12H,10H2,(H,23,25).
What are the key properties of N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide?
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 54858852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).