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

C8H9FN2O2 — CID 130771056

IUPAC(3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cnoc1C(=O)N1CC(F)C1
InChIInChI=1S/C8H9FN2O2/c1-5-2-10-13-7(5)8(12)11-3-6(9)4-11/h2,6H,3-4H2,1H3
InChIKeyYREMQBFWVYZNPR-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.78
Rot. Bonds1

About (3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone

(3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 130771056) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone
PubChem CID130771056
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name(3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cnoc1C(=O)N1CC(F)C1
InChIInChI=1S/C8H9FN2O2/c1-5-2-10-13-7(5)8(12)11-3-6(9)4-11/h2,6H,3-4H2,1H3
InChIKeyYREMQBFWVYZNPR-UHFFFAOYSA-N
XLogP0.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-1,2-oxazole-5-carboxamide
CID 13673119
1-(4-Methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 66334789
2-[(4-Methyl-1,2-oxazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257715
4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide
CID 103750166
N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 103770285
N-(2,2-difluoro-3-hydroxypropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 104857180
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 107482333
N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
CID 113351104
N-(3-amino-2,2-difluoropropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 114383762
(3,3-Difluoroazetidin-1-yl)(5-methylisoxazol-4-yl)methanone
CID 122269363
N-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 130662841
(3-Fluoroazetidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 130710489

Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone (CID 130771056) is (3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone is Cc1cnoc1C(=O)N1CC(F)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is YREMQBFWVYZNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-5-2-10-13-7(5)8(12)11-3-6(9)4-11/h2,6H,3-4H2,1H3.
What are the key properties of (3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone?
(3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 184.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 130771056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).