N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide

C20H14ClN3O2 — CID 134800464

IUPACN-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2oc(-c3ccnc(Cl)c3)nc2c1
InChIInChI=1S/C20H14ClN3O2/c21-18-11-15(8-9-22-18)20-24-16-10-14(6-7-17(16)26-20)19(25)23-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,25)
InChIKeyIYSJWZFPHJNHEG-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.47
Rot. Bonds4

About N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide

N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 134800464) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide
PubChem CID134800464
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC NameN-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2oc(-c3ccnc(Cl)c3)nc2c1
InChIInChI=1S/C20H14ClN3O2/c21-18-11-15(8-9-22-18)20-24-16-10-14(6-7-17(16)26-20)19(25)23-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,25)
InChIKeyIYSJWZFPHJNHEG-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-pyridinyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 134796086
2-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42518502
2-chloro-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787102
2-chloro-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787087
N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide
CID 134799158
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
CID 134797934
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 130446005
2-chloro-N-(furan-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100786930
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide (CID 134800464) is N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide is O=C(NCc1ccccc1)c1ccc2oc(-c3ccnc(Cl)c3)nc2c1.
What is the InChIKey of N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is IYSJWZFPHJNHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c21-18-11-15(8-9-22-18)20-24-16-10-14(6-7-17(16)26-20)19(25)23-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,25).
What are the key properties of N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide?
N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 134800464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).