3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide

C9H11F3N2O2 — CID 58831715

IUPAC3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESCCCNC(=O)c1c(C)noc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-3-4-13-8(15)6-5(2)14-16-7(6)9(10,11)12/h3-4H2,1-2H3,(H,13,15)
InChIKeyKUBOCROYARJLEU-UHFFFAOYSA-N
MW236.19 g/mol
LogP2.14
Rot. Bonds3

About 3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide

3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide (PubChem CID 58831715) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
PubChem CID58831715
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESCCCNC(=O)c1c(C)noc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-3-4-13-8(15)6-5(2)14-16-7(6)9(10,11)12/h3-4H2,1-2H3,(H,13,15)
InChIKeyKUBOCROYARJLEU-UHFFFAOYSA-N
XLogP2.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245261
N,3,5-Trimethylisoxazole-4-carboxamide
CID 5149864
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
N,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006353
N-(2-(Dimethylamino)ethyl)-3-ethyl-5-methylisoxazole-4-carboxamide
CID 1245014
N-(3-ethylpent-1-yn-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245925
(3,5-Dimethyl-4-isoxazolyl)(1-pyrrolidinyl)methanone
CID 2798231
3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30478640
N-(3-methoxypropyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 45796442
3-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)-1,2-oxazole-4-carboxamide
CID 45796489
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47010153

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide (CID 58831715) is 3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide is CCCNC(=O)c1c(C)noc1C(F)(F)F.
What is the InChIKey of 3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is KUBOCROYARJLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-3-4-13-8(15)6-5(2)14-16-7(6)9(10,11)12/h3-4H2,1-2H3,(H,13,15).
What are the key properties of 3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 236.19 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 58831715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).