N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C24H31F3N4O2 — CID 66792958

IUPACN-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CNCCN1CCCCC1
InChIInChI=1S/C24H31F3N4O2/c25-24(26,27)18-10-8-17(9-11-18)22-20(16-28-12-15-31-13-4-1-5-14-31)21(30-33-22)23(32)29-19-6-2-3-7-19/h8-11,19,28H,1-7,12-16H2,(H,29,32)
InChIKeyKPHCDBZISXFBFA-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.61
Rot. Bonds8

About N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 66792958) has the molecular formula C24H31F3N4O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID66792958
Molecular FormulaC24H31F3N4O2
Molecular Weight464.53 g/mol
Exact Mass464.24
IUPAC NameN-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CNCCN1CCCCC1
InChIInChI=1S/C24H31F3N4O2/c25-24(26,27)18-10-8-17(9-11-18)22-20(16-28-12-15-31-13-4-1-5-14-31)21(30-33-22)23(32)29-19-6-2-3-7-19/h8-11,19,28H,1-7,12-16H2,(H,29,32)
InChIKeyKPHCDBZISXFBFA-UHFFFAOYSA-N
XLogP4.61
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-4-[(2-methylpropylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 66793026
N-(4-hydroxycyclohexyl)-4-[(propan-2-ylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 46865479
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-(3-hydroxycyclohexyl)-4-[(oxolan-3-ylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 77191414
[4-[[4-[[(2-methoxy-2-methylpropyl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclohexyl] 2,2,2-trifluoroacetate
CID 87152991
N-(4-hydroxycyclohexyl)-4-[(oxan-4-ylmethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87153011
4-fluoro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 67121064
N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 56683582
4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 25182039
4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 66792951
5-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(3-hydroxycyclohexyl)-4-[(1,1,1-trifluoropropan-2-ylamino)methyl]-1,2-oxazole-3-carboxamide
CID 75236386

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 66792958) is N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(NC1CCCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1CNCCN1CCCCC1.
What is the InChIKey of N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KPHCDBZISXFBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N4O2/c25-24(26,27)18-10-8-17(9-11-18)22-20(16-28-12-15-31-13-4-1-5-14-31)21(30-33-22)23(32)29-19-6-2-3-7-19/h8-11,19,28H,1-7,12-16H2,(H,29,32).
What are the key properties of N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66792958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).