4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide

C14H21F3N2O2 — CID 91652142

IUPAC4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(CC(C)C)oc1C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H21F3N2O2/c1-8(2)6-11-18-10(5)12(21-11)13(20)19(9(3)4)7-14(15,16)17/h8-9H,6-7H2,1-5H3
InChIKeyXSHICFNILRCVMA-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.59
Rot. Bonds5

About 4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide

4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide (PubChem CID 91652142) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide
PubChem CID91652142
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(CC(C)C)oc1C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H21F3N2O2/c1-8(2)6-11-18-10(5)12(21-11)13(20)19(9(3)4)7-14(15,16)17/h8-9H,6-7H2,1-5H3
InChIKeyXSHICFNILRCVMA-UHFFFAOYSA-N
XLogP3.59
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide (CID 91652142) is 4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide is Cc1nc(CC(C)C)oc1C(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is XSHICFNILRCVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-8(2)6-11-18-10(5)12(21-11)13(20)19(9(3)4)7-14(15,16)17/h8-9H,6-7H2,1-5H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide?
4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91652142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).