2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide

C17H24F2N2O2 — CID 138008927

IUPAC2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide
SMILESCC1(C)CCC(C)(NC(=O)c2oc(C3CC3)nc2C(F)F)CC1
InChIInChI=1S/C17H24F2N2O2/c1-16(2)6-8-17(3,9-7-16)21-14(22)12-11(13(18)19)20-15(23-12)10-4-5-10/h10,13H,4-9H2,1-3H3,(H,21,22)
InChIKeyXIJFJRXZQYJQEH-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.58
Rot. Bonds4

About 2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide

2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide (PubChem CID 138008927) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide
PubChem CID138008927
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide
SMILESCC1(C)CCC(C)(NC(=O)c2oc(C3CC3)nc2C(F)F)CC1
InChIInChI=1S/C17H24F2N2O2/c1-16(2)6-8-17(3,9-7-16)21-14(22)12-11(13(18)19)20-15(23-12)10-4-5-10/h10,13H,4-9H2,1-3H3,(H,21,22)
InChIKeyXIJFJRXZQYJQEH-UHFFFAOYSA-N
XLogP4.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide (CID 138008927) is 2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide is CC1(C)CCC(C)(NC(=O)c2oc(C3CC3)nc2C(F)F)CC1.
What is the InChIKey of 2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide?
The InChIKey is XIJFJRXZQYJQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-16(2)6-8-17(3,9-7-16)21-14(22)12-11(13(18)19)20-15(23-12)10-4-5-10/h10,13H,4-9H2,1-3H3,(H,21,22).
What are the key properties of 2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide?
2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 138008927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).