N-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

C13H13N3O2 — CID 850408

IUPACN-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1onc2c1CCCC2
InChIInChI=1S/C13H13N3O2/c17-13(15-11-7-3-4-8-14-11)12-9-5-1-2-6-10(9)16-18-12/h3-4,7-8H,1-2,5-6H2,(H,14,15,17)
InChIKeyAEFIRBXSHOOPQH-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.20
Rot. Bonds2

About N-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

N-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (PubChem CID 850408) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
PubChem CID850408
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1onc2c1CCCC2
InChIInChI=1S/C13H13N3O2/c17-13(15-11-7-3-4-8-14-11)12-9-5-1-2-6-10(9)16-18-12/h3-4,7-8H,1-2,5-6H2,(H,14,15,17)
InChIKeyAEFIRBXSHOOPQH-UHFFFAOYSA-N
XLogP2.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971417
3-(3,5-dimethylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971419
N1-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]acetamide
CID 2745719
N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide
CID 155813831
3-phenyl-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971416
3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971418
N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzisoxazole-3-carboxamide
CID 850407
2-(1,2-benzisoxazol-3-yl)-N-(2-pyridinyl)acetamide
CID 1235386
N-pyridin-3-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3242844
N-(4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)pyridin-2-yl)acetamide
CID 24901423
2-(4-fluorophenyl)-N-(4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)pyridin-2-yl)acetamide
CID 44597113
5-propan-2-yl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 137647050

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The IUPAC name of N-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (CID 850408) is N-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for N-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is O=C(Nc1ccccn1)c1onc2c1CCCC2.
What is the InChIKey of N-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The InChIKey is AEFIRBXSHOOPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(15-11-7-3-4-8-14-11)12-9-5-1-2-6-10(9)16-18-12/h3-4,7-8H,1-2,5-6H2,(H,14,15,17).
What are the key properties of N-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
N-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 850408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).