2-cyclopropyl-5,7-difluoro-1,3-benzoxazole

C10H7F2NO — CID 82230076

IUPAC2-cyclopropyl-5,7-difluoro-1,3-benzoxazole
SMILESFc1cc(F)c2oc(C3CC3)nc2c1
InChIInChI=1S/C10H7F2NO/c11-6-3-7(12)9-8(4-6)13-10(14-9)5-1-2-5/h3-5H,1-2H2
InChIKeyZZTGOCPBGYXYQY-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.98
Rot. Bonds1

About 2-cyclopropyl-5,7-difluoro-1,3-benzoxazole

2-cyclopropyl-5,7-difluoro-1,3-benzoxazole (PubChem CID 82230076) has the molecular formula C10H7F2NO and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-cyclopropyl-5,7-difluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-cyclopropyl-5,7-difluoro-1,3-benzoxazole
PubChem CID82230076
Molecular FormulaC10H7F2NO
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-cyclopropyl-5,7-difluoro-1,3-benzoxazole
SMILESFc1cc(F)c2oc(C3CC3)nc2c1
InChIInChI=1S/C10H7F2NO/c11-6-3-7(12)9-8(4-6)13-10(14-9)5-1-2-5/h3-5H,1-2H2
InChIKeyZZTGOCPBGYXYQY-UHFFFAOYSA-N
XLogP2.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole
CID 82234029
[(2R,5R)-5-(5,7-difluoro-1,3-benzoxazol-2-yl)-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71502454
2-cyclopropyl-5-ethynyl-6-fluoro-1,3-benzoxazole
CID 166973320
7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 82231334
5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole
CID 82233932
3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 66032790
1-(7-amino-2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone
CID 82230704
7-chloro-2-cyclopropyl-5-nitro-1,3-benzoxazole
CID 122623661
1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone
CID 82233643
5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine
CID 82231734
5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole
CID 82231812
2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine
CID 82167807

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,7-difluoro-1,3-benzoxazole?
The IUPAC name of 2-cyclopropyl-5,7-difluoro-1,3-benzoxazole (CID 82230076) is 2-cyclopropyl-5,7-difluoro-1,3-benzoxazole.
What is the SMILES notation for 2-cyclopropyl-5,7-difluoro-1,3-benzoxazole?
The canonical SMILES for 2-cyclopropyl-5,7-difluoro-1,3-benzoxazole is Fc1cc(F)c2oc(C3CC3)nc2c1.
What is the InChIKey of 2-cyclopropyl-5,7-difluoro-1,3-benzoxazole?
The InChIKey is ZZTGOCPBGYXYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO/c11-6-3-7(12)9-8(4-6)13-10(14-9)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 2-cyclopropyl-5,7-difluoro-1,3-benzoxazole?
2-cyclopropyl-5,7-difluoro-1,3-benzoxazole has a molecular weight of 195.17 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,7-difluoro-1,3-benzoxazole is sourced from PubChem (CID 82230076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).