N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide

C20H13Cl2N3O2 — CID 23963813

IUPACN-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1c(NC(=O)c2cccnc2)cccc1-c1nc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C20H13Cl2N3O2/c1-11-14(20-25-17-9-13(21)8-15(22)18(17)27-20)5-2-6-16(11)24-19(26)12-4-3-7-23-10-12/h2-10H,1H3,(H,24,26)
InChIKeyDYQZFHMMGMWQBV-UHFFFAOYSA-N
MW398.25 g/mol
LogP5.76
Rot. Bonds3

About N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide

N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 23963813) has the molecular formula C20H13Cl2N3O2 and a molecular weight of 398.25 g/mol. Its IUPAC name is N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide
PubChem CID23963813
Molecular FormulaC20H13Cl2N3O2
Molecular Weight398.25 g/mol
Exact Mass397.04
IUPAC NameN-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1c(NC(=O)c2cccnc2)cccc1-c1nc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C20H13Cl2N3O2/c1-11-14(20-25-17-9-13(21)8-15(22)18(17)27-20)5-2-6-16(11)24-19(26)12-4-3-7-23-10-12/h2-10H,1H3,(H,24,26)
InChIKeyDYQZFHMMGMWQBV-UHFFFAOYSA-N
XLogP5.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.25
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 23931543
3,6-dichloro-N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 3694832
N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride
CID 110756419
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide
CID 2210002
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
CID 1497023
3-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 2911857
N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide
CID 3885704
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]pyridine-3-carboxamide
CID 135447235
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(2-methylpropoxy)benzamide
CID 23906666
N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 712724
N-[2-(4-chlorophenyl)-4-methylphenyl]pyridine-3-carboxamide
CID 110442905
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30332842

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide (CID 23963813) is N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide is Cc1c(NC(=O)c2cccnc2)cccc1-c1nc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is DYQZFHMMGMWQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O2/c1-11-14(20-25-17-9-13(21)8-15(22)18(17)27-20)5-2-6-16(11)24-19(26)12-4-3-7-23-10-12/h2-10H,1H3,(H,24,26).
What are the key properties of N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide?
N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 398.25 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 23963813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).