N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide

C15H13N3O2 — CID 110796039

IUPACN-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc2ncoc2c1)c1ccccn1
InChIInChI=1S/C15H13N3O2/c19-15(13-3-1-2-7-16-13)17-8-6-11-4-5-12-14(9-11)20-10-18-12/h1-5,7,9-10H,6,8H2,(H,17,19)
InChIKeyFBONZMFYOCTATP-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.20
Rot. Bonds4

About N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide

N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide (PubChem CID 110796039) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
PubChem CID110796039
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc2ncoc2c1)c1ccccn1
InChIInChI=1S/C15H13N3O2/c19-15(13-3-1-2-7-16-13)17-8-6-11-4-5-12-14(9-11)20-10-18-12/h1-5,7,9-10H,6,8H2,(H,17,19)
InChIKeyFBONZMFYOCTATP-UHFFFAOYSA-N
XLogP2.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
CID 110790949
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110790940
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110790983
phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate
CID 110790963
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide
CID 110796046
4-[2-(1,3-benzoxazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 115163729
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796048
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110707405
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-chlorobenzamide
CID 110707375
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide
CID 110790910
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796141

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide (CID 110796039) is N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide is O=C(NCCc1ccc2ncoc2c1)c1ccccn1.
What is the InChIKey of N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is FBONZMFYOCTATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(13-3-1-2-7-16-13)17-8-6-11-4-5-12-14(9-11)20-10-18-12/h1-5,7,9-10H,6,8H2,(H,17,19).
What are the key properties of N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide?
N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 110796039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).