5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole

C14H9ClFNO — CID 82233118

IUPAC5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole
SMILESCc1cc(Cl)cc2nc(-c3ccccc3F)oc12
InChIInChI=1S/C14H9ClFNO/c1-8-6-9(15)7-12-13(8)18-14(17-12)10-4-2-3-5-11(10)16/h2-7H,1H3
InChIKeyUBMRRNFHUAEEMM-UHFFFAOYSA-N
MW261.68 g/mol
LogP4.60
Rot. Bonds1

About 5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole

5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole (PubChem CID 82233118) has the molecular formula C14H9ClFNO and a molecular weight of 261.68 g/mol. Its IUPAC name is 5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole
PubChem CID82233118
Molecular FormulaC14H9ClFNO
Molecular Weight261.68 g/mol
Exact Mass261.04
IUPAC Name5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole
SMILESCc1cc(Cl)cc2nc(-c3ccccc3F)oc12
InChIInChI=1S/C14H9ClFNO/c1-8-6-9(15)7-12-13(8)18-14(17-12)10-4-2-3-5-11(10)16/h2-7H,1H3
InChIKeyUBMRRNFHUAEEMM-UHFFFAOYSA-N
XLogP4.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 95910835
7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690900
2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
CID 91676679
2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline
CID 107676426
2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine
CID 82232746
2-(2-chloro-4,5-difluorophenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91675007
1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone
CID 94979203
5-chloro-7-methyl-1,3-benzoxazol-2-amine
CID 62368889
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-fluorobenzamide
CID 135610414
2-(2-fluorophenyl)-4-methyl-1,3-oxazole
CID 146080980
2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91673887
1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299124

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole (CID 82233118) is 5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole is Cc1cc(Cl)cc2nc(-c3ccccc3F)oc12.
What is the InChIKey of 5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole?
The InChIKey is UBMRRNFHUAEEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO/c1-8-6-9(15)7-12-13(8)18-14(17-12)10-4-2-3-5-11(10)16/h2-7H,1H3.
What are the key properties of 5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole?
5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole has a molecular weight of 261.68 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole is sourced from PubChem (CID 82233118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).