1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide

C17H18F2N2O2 — CID 126834251

IUPAC1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1cccc(-c2cnco2)c1)C1(C(F)F)CCCC1
InChIInChI=1S/C17H18F2N2O2/c18-15(19)17(6-1-2-7-17)16(22)21-9-12-4-3-5-13(8-12)14-10-20-11-23-14/h3-5,8,10-11,15H,1-2,6-7,9H2,(H,21,22)
InChIKeyOUAJFMIEBBLNSG-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.78
Rot. Bonds5

About 1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide

1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 126834251) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID126834251
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1cccc(-c2cnco2)c1)C1(C(F)F)CCCC1
InChIInChI=1S/C17H18F2N2O2/c18-15(19)17(6-1-2-7-17)16(22)21-9-12-4-3-5-13(8-12)14-10-20-11-23-14/h3-5,8,10-11,15H,1-2,6-7,9H2,(H,21,22)
InChIKeyOUAJFMIEBBLNSG-UHFFFAOYSA-N
XLogP3.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide (CID 126834251) is 1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide is O=C(NCc1cccc(-c2cnco2)c1)C1(C(F)F)CCCC1.
What is the InChIKey of 1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is OUAJFMIEBBLNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c18-15(19)17(6-1-2-7-17)16(22)21-9-12-4-3-5-13(8-12)14-10-20-11-23-14/h3-5,8,10-11,15H,1-2,6-7,9H2,(H,21,22).
What are the key properties of 1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide?
1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 126834251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).