(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone

C10H12F2N2O2 — CID 121184594

IUPAC(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C10H12F2N2O2/c1-7-8(6-13-16-7)9(15)14-4-2-10(11,12)3-5-14/h6H,2-5H2,1H3
InChIKeyMNWZSCIPMPVRFJ-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.85
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone

(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 121184594) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID121184594
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C10H12F2N2O2/c1-7-8(6-13-16-7)9(15)14-4-2-10(11,12)3-5-14/h6H,2-5H2,1H3
InChIKeyMNWZSCIPMPVRFJ-UHFFFAOYSA-N
XLogP1.85
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxyiminopiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 24702028
(5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484678
[4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 126856147
(3-aminoazetidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 65244931
[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 133115078
(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334399
(5-methyl-1,2-oxazol-4-yl)-(1-propan-2-ylspiro[2,3-dihydro-4,1-benzoxazepine-5,4'-piperidine]-1'-yl)methanone
CID 97401451
2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896118
9-(5-methyl-1,2-oxazole-4-carbonyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451098
2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787
(4,4-difluoropiperidin-1-yl)-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone
CID 168678134
[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 134080134

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone (CID 121184594) is (4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is MNWZSCIPMPVRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-7-8(6-13-16-7)9(15)14-4-2-10(11,12)3-5-14/h6H,2-5H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 230.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 121184594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).