N-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

C15H18F2N4O2 — CID 127600892

IUPACN-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)NC1CCCC(F)(F)C1
InChIInChI=1S/C15H18F2N4O2/c1-9-12(20-14(23-9)10-7-18-21(2)8-10)13(22)19-11-4-3-5-15(16,17)6-11/h7-8,11H,3-6H2,1-2H3,(H,19,22)
InChIKeyJWMBNGJJRGXANX-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.69
Rot. Bonds3

About N-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

N-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 127600892) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is N-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID127600892
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC NameN-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)NC1CCCC(F)(F)C1
InChIInChI=1S/C15H18F2N4O2/c1-9-12(20-14(23-9)10-7-18-21(2)8-10)13(22)19-11-4-3-5-15(16,17)6-11/h7-8,11H,3-6H2,1-2H3,(H,19,22)
InChIKeyJWMBNGJJRGXANX-UHFFFAOYSA-N
XLogP2.69
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 127600892) is N-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2cnn(C)c2)nc1C(=O)NC1CCCC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is JWMBNGJJRGXANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c1-9-12(20-14(23-9)10-7-18-21(2)8-10)13(22)19-11-4-3-5-15(16,17)6-11/h7-8,11H,3-6H2,1-2H3,(H,19,22).
What are the key properties of N-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
N-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 324.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclohexyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 127600892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).