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

C15H17FN2O2 — CID 75459712

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1noc(C)c1CC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C15H17FN2O2/c1-10-14(11(2)20-17-10)8-15(19)18(3)9-12-5-4-6-13(16)7-12/h4-7H,8-9H2,1-3H3
InChIKeyDKCJYRHSTLBPBM-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.63
Rot. Bonds4

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 75459712) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
PubChem CID75459712
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1noc(C)c1CC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C15H17FN2O2/c1-10-14(11(2)20-17-10)8-15(19)18(3)9-12-5-4-6-13(16)7-12/h4-7H,8-9H2,1-3H3
InChIKeyDKCJYRHSTLBPBM-UHFFFAOYSA-N
XLogP2.63
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
N-[(3-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 26622251
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide
CID 17430469
2-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 110714525
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 31335493
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192595
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27665797
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 32761183
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea
CID 94251751
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide (CID 75459712) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide is Cc1noc(C)c1CC(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is DKCJYRHSTLBPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-14(11(2)20-17-10)8-15(19)18(3)9-12-5-4-6-13(16)7-12/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 276.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 75459712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).