N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide

C17H16F4N2O3 — CID 56683582

IUPACN-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1noc(-c2ccc(C(F)(F)F)c(F)c2)c1CO
InChIInChI=1S/C17H16F4N2O3/c18-13-7-9(5-6-12(13)17(19,20)21)15-11(8-24)14(23-26-15)16(25)22-10-3-1-2-4-10/h5-7,10,24H,1-4,8H2,(H,22,25)
InChIKeyRPSSJILAQRPJMY-UHFFFAOYSA-N
MW372.32 g/mol
LogP3.66
Rot. Bonds4

About N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide

N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 56683582) has the molecular formula C17H16F4N2O3 and a molecular weight of 372.32 g/mol. Its IUPAC name is N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID56683582
Molecular FormulaC17H16F4N2O3
Molecular Weight372.32 g/mol
Exact Mass372.11
IUPAC NameN-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1noc(-c2ccc(C(F)(F)F)c(F)c2)c1CO
InChIInChI=1S/C17H16F4N2O3/c18-13-7-9(5-6-12(13)17(19,20)21)15-11(8-24)14(23-26-15)16(25)22-10-3-1-2-4-10/h5-7,10,24H,1-4,8H2,(H,22,25)
InChIKeyRPSSJILAQRPJMY-UHFFFAOYSA-N
XLogP3.66
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-difluorocyclobutyl)-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 87153085
5-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(3-hydroxycyclohexyl)-4-[(1,1,1-trifluoropropan-2-ylamino)methyl]-1,2-oxazole-3-carboxamide
CID 75236386
methyl 5-(cyclopentylcarbamoyl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate
CID 67282992
N-cyclopentyl-4-[(2-methylpropylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 66793026
N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 66792958
N-cyclopentyl-4-formyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 86663337
N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 66792819
N-(4-hydroxycyclohexyl)-4-[(propan-2-ylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 46865479
4-fluoro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 67121064
5-(4-chlorophenyl)-N-cyclopentyl-4-cyclopropyl-1,2-oxazole-3-carboxamide
CID 67121170
4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 25181774
N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide
CID 139574214

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide (CID 56683582) is N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide is O=C(NC1CCCC1)c1noc(-c2ccc(C(F)(F)F)c(F)c2)c1CO.
What is the InChIKey of N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RPSSJILAQRPJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O3/c18-13-7-9(5-6-12(13)17(19,20)21)15-11(8-24)14(23-26-15)16(25)22-10-3-1-2-4-10/h5-7,10,24H,1-4,8H2,(H,22,25).
What are the key properties of N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 372.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56683582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).