N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide

C17H16N2O2 — CID 110387920

IUPACN-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N(C)Cc3ccccc3)ccc2o1
InChIInChI=1S/C17H16N2O2/c1-12-18-15-10-14(8-9-16(15)21-12)17(20)19(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyURNUBWJJXJFFBU-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.41
Rot. Bonds3

About N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide

N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide (PubChem CID 110387920) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
PubChem CID110387920
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N(C)Cc3ccccc3)ccc2o1
InChIInChI=1S/C17H16N2O2/c1-12-18-15-10-14(8-9-16(15)21-12)17(20)19(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyURNUBWJJXJFFBU-UHFFFAOYSA-N
XLogP3.41
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42098920
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765217
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
methyl 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]-2-oxoacetate
CID 115142497
N-benzyl-2-iodo-N-methylpyridine-4-carboxamide
CID 141379773
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 25313317
4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115163065
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 25460055
N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 125156599

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide (CID 110387920) is N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide is Cc1nc2cc(C(=O)N(C)Cc3ccccc3)ccc2o1.
What is the InChIKey of N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is URNUBWJJXJFFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-18-15-10-14(8-9-16(15)21-12)17(20)19(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide?
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110387920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).