N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide

C15H15F3N2O2 — CID 86819641

IUPACN-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)on1
InChIInChI=1S/C15H15F3N2O2/c1-11-9-13(22-19-11)14(21)20(8-7-15(16,17)18)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3
InChIKeyNBYRQPWEASARGP-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.58
Rot. Bonds5

About N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide

N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide (PubChem CID 86819641) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide
PubChem CID86819641
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC NameN-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)on1
InChIInChI=1S/C15H15F3N2O2/c1-11-9-13(22-19-11)14(21)20(8-7-15(16,17)18)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3
InChIKeyNBYRQPWEASARGP-UHFFFAOYSA-N
XLogP3.58
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide
CID 78811228
N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811482
N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 78810477
N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 100740539
N-benzyl-N-(2-bromoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 80661970
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94824957
(2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide
CID 99834856
N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 126989856
N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
CID 60707749
N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide
CID 78970837
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 111335083

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide (CID 86819641) is N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)on1.
What is the InChIKey of N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is NBYRQPWEASARGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-11-9-13(22-19-11)14(21)20(8-7-15(16,17)18)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3.
What are the key properties of N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide?
N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 86819641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).