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

C20H14ClN3O2 — CID 3237075

IUPACN-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1cccnc1
InChIInChI=1S/C20H14ClN3O2/c21-15-5-3-13(4-6-15)10-19-24-17-11-16(7-8-18(17)26-19)23-20(25)14-2-1-9-22-12-14/h1-9,11-12H,10H2,(H,23,25)
InChIKeyZGMWTFYPCGMYNJ-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.72
Rot. Bonds4

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

N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide (PubChem CID 3237075) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
PubChem CID3237075
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC NameN-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1cccnc1
InChIInChI=1S/C20H14ClN3O2/c21-15-5-3-13(4-6-15)10-19-24-17-11-16(7-8-18(17)26-19)23-20(25)14-2-1-9-22-12-14/h1-9,11-12H,10H2,(H,23,25)
InChIKeyZGMWTFYPCGMYNJ-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide (CID 3237075) is N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide is O=C(Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1cccnc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The InChIKey is ZGMWTFYPCGMYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c21-15-5-3-13(4-6-15)10-19-24-17-11-16(7-8-18(17)26-19)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-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]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-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 3237075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).