N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide

C21H16ClN3O2 — CID 134799158

IUPACN-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C21H16ClN3O2/c22-17-4-1-14(2-5-17)7-12-24-20(26)16-3-6-19-18(13-16)25-21(27-19)15-8-10-23-11-9-15/h1-6,8-11,13H,7,12H2,(H,24,26)
InChIKeyOFYBLSKAMYFTKH-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.52
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide (PubChem CID 134799158) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide
PubChem CID134799158
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C21H16ClN3O2/c22-17-4-1-14(2-5-17)7-12-24-20(26)16-3-6-19-18(13-16)25-21(27-19)15-8-10-23-11-9-15/h1-6,8-11,13H,7,12H2,(H,24,26)
InChIKeyOFYBLSKAMYFTKH-UHFFFAOYSA-N
XLogP4.52
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-pyridinyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 134796086
2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53237443
2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide
CID 67331843
2-chloro-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787102
2-[(4-chlorophenyl)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 56701357
N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134797727
N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide
CID 134800464
2-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42518502
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetic acid;methane
CID 66706315

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide (CID 134799158) is N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide?
The InChIKey is OFYBLSKAMYFTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-17-4-1-14(2-5-17)7-12-24-20(26)16-3-6-19-18(13-16)25-21(27-19)15-8-10-23-11-9-15/h1-6,8-11,13H,7,12H2,(H,24,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 134799158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).