N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide

C15H20N2O2 — CID 53017164

IUPACN-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide
SMILESCC1=NOC(C)(CNC(=O)c2cc(C)ccc2C)C1
InChIInChI=1S/C15H20N2O2/c1-10-5-6-11(2)13(7-10)14(18)16-9-15(4)8-12(3)17-19-15/h5-7H,8-9H2,1-4H3,(H,16,18)
InChIKeyIIAJMJSBOOYMMI-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.59
Rot. Bonds3

About N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide

N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide (PubChem CID 53017164) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide
PubChem CID53017164
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide
SMILESCC1=NOC(C)(CNC(=O)c2cc(C)ccc2C)C1
InChIInChI=1S/C15H20N2O2/c1-10-5-6-11(2)13(7-10)14(18)16-9-15(4)8-12(3)17-19-15/h5-7H,8-9H2,1-4H3,(H,16,18)
InChIKeyIIAJMJSBOOYMMI-UHFFFAOYSA-N
XLogP2.59
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide
CID 95052038
N-[[(5R)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide
CID 95052037
N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide
CID 53017138
N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 95135631
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052
5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 50974704
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylbenzamide
CID 113264578
N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 9480533
2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502208
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
N-(3-amino-3-sulfanylidenepropyl)-2,5-dimethylbenzamide
CID 62668180
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide (CID 53017164) is N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide is CC1=NOC(C)(CNC(=O)c2cc(C)ccc2C)C1.
What is the InChIKey of N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide?
The InChIKey is IIAJMJSBOOYMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-5-6-11(2)13(7-10)14(18)16-9-15(4)8-12(3)17-19-15/h5-7H,8-9H2,1-4H3,(H,16,18).
What are the key properties of N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide?
N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide has a molecular weight of 260.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 53017164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).