[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone

C18H21F2N3O2 — CID 53146783

IUPAC[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone
SMILESCC(C)c1c(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)noc1N
InChIInChI=1S/C18H21F2N3O2/c1-10(2)15-16(22-25-17(15)21)11-5-7-23(8-6-11)18(24)12-3-4-13(19)14(20)9-12/h3-4,9-11H,5-8,21H2,1-2H3
InChIKeyQGRZERWCOFPXBG-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.68
Rot. Bonds3

About [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone

[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone (PubChem CID 53146783) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone
PubChem CID53146783
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone
SMILESCC(C)c1c(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)noc1N
InChIInChI=1S/C18H21F2N3O2/c1-10(2)15-16(22-25-17(15)21)11-5-7-23(8-6-11)18(24)12-3-4-13(19)14(20)9-12/h3-4,9-11H,5-8,21H2,1-2H3
InChIKeyQGRZERWCOFPXBG-UHFFFAOYSA-N
XLogP3.68
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 53146798
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
(3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124759582
(3,4-difluorophenyl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102318
(3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
CID 110405401
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide
CID 110750479
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
(3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone
CID 110645884
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone (CID 53146783) is [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone is CC(C)c1c(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)noc1N.
What is the InChIKey of [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is QGRZERWCOFPXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-10(2)15-16(22-25-17(15)21)11-5-7-23(8-6-11)18(24)12-3-4-13(19)14(20)9-12/h3-4,9-11H,5-8,21H2,1-2H3.
What are the key properties of [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone?
[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 349.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 53146783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).