N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide

C22H27F2N3O3 — CID 25490193

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN(C2CCCC2)CC1)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C22H27F2N3O3/c23-16-5-6-21(19(24)11-16)29-14-18-12-20(26-30-18)22(28)25-13-15-7-9-27(10-8-15)17-3-1-2-4-17/h5-6,11-12,15,17H,1-4,7-10,13-14H2,(H,25,28)
InChIKeyQZABVATUARUTNP-UHFFFAOYSA-N
MW419.47 g/mol
LogP3.92
Rot. Bonds7

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 25490193) has the molecular formula C22H27F2N3O3 and a molecular weight of 419.47 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID25490193
Molecular FormulaC22H27F2N3O3
Molecular Weight419.47 g/mol
Exact Mass419.20
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN(C2CCCC2)CC1)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C22H27F2N3O3/c23-16-5-6-21(19(24)11-16)29-14-18-12-20(26-30-18)22(28)25-13-15-7-9-27(10-8-15)17-3-1-2-4-17/h5-6,11-12,15,17H,1-4,7-10,13-14H2,(H,25,28)
InChIKeyQZABVATUARUTNP-UHFFFAOYSA-N
XLogP3.92
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 169080368
5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 25308523
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide
CID 16895608
[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 25456831
N-cycloheptyl-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453107
5-[(2,4-difluorophenoxy)methyl]-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56712217
5-[(2,4-difluorophenoxy)methyl]-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2-oxazole-3-carboxamide
CID 25489866
[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(1R)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone
CID 26320748
5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23852983
5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 56704290
1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62450192
(4-cyclopentylpiperazin-1-yl)-[5-(quinolin-8-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 42216229

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 25490193) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CCN(C2CCCC2)CC1)c1cc(COc2ccc(F)cc2F)on1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QZABVATUARUTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O3/c23-16-5-6-21(19(24)11-16)29-14-18-12-20(26-30-18)22(28)25-13-15-7-9-27(10-8-15)17-3-1-2-4-17/h5-6,11-12,15,17H,1-4,7-10,13-14H2,(H,25,28).
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 419.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25490193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).