6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole

C14H10FNO2 — CID 70133656

IUPAC6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole
SMILESCOc1cccc(-c2onc3cc(F)ccc23)c1
InChIInChI=1S/C14H10FNO2/c1-17-11-4-2-3-9(7-11)14-12-6-5-10(15)8-13(12)16-18-14/h2-8H,1H3
InChIKeySJTWVNLGRYTTCT-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.64
Rot. Bonds2

About 6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole

6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole (PubChem CID 70133656) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole
PubChem CID70133656
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole
SMILESCOc1cccc(-c2onc3cc(F)ccc23)c1
InChIInChI=1S/C14H10FNO2/c1-17-11-4-2-3-9(7-11)14-12-6-5-10(15)8-13(12)16-18-14/h2-8H,1H3
InChIKeySJTWVNLGRYTTCT-UHFFFAOYSA-N
XLogP3.64
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole
CID 70149039
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 116859108
7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine
CID 64983270
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
(2R)-1-[3-(6-fluoro-2,1-benzoxazol-3-yl)phenoxy]-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 67012144
3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 17096006
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 102158832
4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene
CID 141399612
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
CID 84708024

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole?
The IUPAC name of 6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole (CID 70133656) is 6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole.
What is the SMILES notation for 6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole?
The canonical SMILES for 6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole is COc1cccc(-c2onc3cc(F)ccc23)c1.
What is the InChIKey of 6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole?
The InChIKey is SJTWVNLGRYTTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c1-17-11-4-2-3-9(7-11)14-12-6-5-10(15)8-13(12)16-18-14/h2-8H,1H3.
What are the key properties of 6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole?
6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole has a molecular weight of 243.24 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole is sourced from PubChem (CID 70133656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).