2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide

C17H16N2O2 — CID 110765208

IUPAC2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC(C)c3ccccc3)cc2o1
InChIInChI=1S/C17H16N2O2/c1-11(13-6-4-3-5-7-13)18-17(20)14-8-9-15-16(10-14)21-12(2)19-15/h3-11H,1-2H3,(H,18,20)
InChIKeyCPJONGOIEJCCIU-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.63
Rot. Bonds3

About 2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide

2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 110765208) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID110765208
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC(C)c3ccccc3)cc2o1
InChIInChI=1S/C17H16N2O2/c1-11(13-6-4-3-5-7-13)18-17(20)14-8-9-15-16(10-14)21-12(2)19-15/h3-11H,1-2H3,(H,18,20)
InChIKeyCPJONGOIEJCCIU-UHFFFAOYSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide
CID 133167282
2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide
CID 100787147
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 100787163
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide
CID 4571608
2-hydroxy-N-(2-methyl-1,3-benzoxazol-6-yl)-2-phenylacetamide
CID 111536513
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
2,2-dimethyl-3-(2-methyl-1,3-benzoxazol-6-yl)-3-oxopropanoic acid
CID 116918123
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide (CID 110765208) is 2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide is Cc1nc2ccc(C(=O)NC(C)c3ccccc3)cc2o1.
What is the InChIKey of 2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is CPJONGOIEJCCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(13-6-4-3-5-7-13)18-17(20)14-8-9-15-16(10-14)21-12(2)19-15/h3-11H,1-2H3,(H,18,20).
What are the key properties of 2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide?
2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110765208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).