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

C15H16N2O2 — CID 5079103

IUPACN-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCN(C(=O)c1noc2c1CCCC2)c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-17(11-7-3-2-4-8-11)15(18)14-12-9-5-6-10-13(12)19-16-14/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyPRKANBMPPRZUSK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.83
Rot. Bonds2

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

N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 5079103) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID5079103
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCN(C(=O)c1noc2c1CCCC2)c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-17(11-7-3-2-4-8-11)15(18)14-12-9-5-6-10-13(12)19-16-14/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyPRKANBMPPRZUSK-UHFFFAOYSA-N
XLogP2.83
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 110900748
N-methyl-N-phenyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943593
1-[methyl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120540001
N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388880
2-N,5-N-dimethyl-2-N,5-N-diphenylfuran-2,5-dicarboxamide
CID 154862775
N-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 91235694
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 20923882
3-[propan-2-yl(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]propanoic acid
CID 119207578
(2S)-2-phenyl-2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)acetic acid
CID 97310654
N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254494
phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate
CID 71907384
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 96530829

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 5079103) is N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CN(C(=O)c1noc2c1CCCC2)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is PRKANBMPPRZUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(11-7-3-2-4-8-11)15(18)14-12-9-5-6-10-13(12)19-16-14/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 5079103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).