N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

C15H16N2O2 — CID 850473

IUPACN-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1onc2c1CCCC2
InChIInChI=1S/C15H16N2O2/c1-10-6-2-4-8-12(10)16-15(18)14-11-7-3-5-9-13(11)17-19-14/h2,4,6,8H,3,5,7,9H2,1H3,(H,16,18)
InChIKeyMPGPWXWDJFDOQG-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.11
Rot. Bonds2

About N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (PubChem CID 850473) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
PubChem CID850473
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1onc2c1CCCC2
InChIInChI=1S/C15H16N2O2/c1-10-6-2-4-8-12(10)16-15(18)14-11-7-3-5-9-13(11)17-19-14/h2,4,6,8H,3,5,7,9H2,1H3,(H,16,18)
InChIKeyMPGPWXWDJFDOQG-UHFFFAOYSA-N
XLogP3.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (CID 850473) is N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is Cc1ccccc1NC(=O)c1onc2c1CCCC2.
What is the InChIKey of N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The InChIKey is MPGPWXWDJFDOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-6-2-4-8-12(10)16-15(18)14-11-7-3-5-9-13(11)17-19-14/h2,4,6,8H,3,5,7,9H2,1H3,(H,16,18).
What are the key properties of N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 850473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).