N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide

C13H14N2O2 — CID 53017094

IUPACN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCc1cc(CN(C)C(=O)c2ccccc2)on1
InChIInChI=1S/C13H14N2O2/c1-10-8-12(17-14-10)9-15(2)13(16)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyPOKXYNDUCQLWTO-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.26
Rot. Bonds3

About N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide

N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 53017094) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID53017094
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCc1cc(CN(C)C(=O)c2ccccc2)on1
InChIInChI=1S/C13H14N2O2/c1-10-8-12(17-14-10)9-15(2)13(16)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyPOKXYNDUCQLWTO-UHFFFAOYSA-N
XLogP2.26
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propyl-5-(3-p-tolylisoxazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 9817231
N-(3,5-dimethyl-4-isoxazolylmethyl)phthalimide
CID 135035
1-benzyl-5-(3,5-dimethylisoxazol-4-yl)pyridin-2(1H)-one
CID 76683643
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6622808
Mls003170801
CID 332790
N-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-2-methylpropanamide
CID 1484363
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
N-cyclohexyl-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 3158158
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-[4-(diethylcarbamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9502259

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (CID 53017094) is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is Cc1cc(CN(C)C(=O)c2ccccc2)on1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is POKXYNDUCQLWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-8-12(17-14-10)9-15(2)13(16)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 230.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 53017094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).