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

C15H16N2O2 — CID 3243100

IUPACN-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1noc2c1CCCC2
InChIInChI=1S/C15H16N2O2/c18-15(16-10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)19-17-14/h1-3,6-7H,4-5,8-10H2,(H,16,18)
InChIKeyCUGZMSBAWFPYJV-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.48
Rot. Bonds3

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

N-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 3243100) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID3243100
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1noc2c1CCCC2
InChIInChI=1S/C15H16N2O2/c18-15(16-10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)19-17-14/h1-3,6-7H,4-5,8-10H2,(H,16,18)
InChIKeyCUGZMSBAWFPYJV-UHFFFAOYSA-N
XLogP2.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-4H,5H,6H,7H-pyrido[3,4-c][1,2]oxazol-6-yl]butan-1-one
CID 23645936
N-(3-(2-hydroxynicotinamido)propyl)-5-phenylisoxazole-3-carboxamide
CID 60167648
N-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093736
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
6-allyl-3-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one
CID 1487437

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 3243100) is N-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NCc1ccccc1)c1noc2c1CCCC2.
What is the InChIKey of N-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is CUGZMSBAWFPYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(16-10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)19-17-14/h1-3,6-7H,4-5,8-10H2,(H,16,18).
What are the key properties of N-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 3243100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).