2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole

C13H22FNO2 — CID 146377045

IUPAC2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole
SMILESCCCCC(C)(CCC)c1nc(F)oc1OC
InChIInChI=1S/C13H22FNO2/c1-5-7-9-13(3,8-6-2)10-11(16-4)17-12(14)15-10/h5-9H2,1-4H3
InChIKeyMNTWAHUPCXKWON-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.07
Rot. Bonds7

About 2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole

2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole (PubChem CID 146377045) has the molecular formula C13H22FNO2 and a molecular weight of 243.32 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole
PubChem CID146377045
Molecular FormulaC13H22FNO2
Molecular Weight243.32 g/mol
Exact Mass243.16
IUPAC Name2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole
SMILESCCCCC(C)(CCC)c1nc(F)oc1OC
InChIInChI=1S/C13H22FNO2/c1-5-7-9-13(3,8-6-2)10-11(16-4)17-12(14)15-10/h5-9H2,1-4H3
InChIKeyMNTWAHUPCXKWON-UHFFFAOYSA-N
XLogP4.07
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378755
2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378252
5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146379373
4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378496
2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378264
3-fluoro-2-(5-methylundecan-5-yl)pyridine
CID 155261820
2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline
CID 134415024
5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146377053
4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine
CID 146379321
2-bromo-5-fluoro-3-(3-methyloctan-3-yl)pyrazine
CID 146377530
5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378502
2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378751

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole?
The IUPAC name of 2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole (CID 146377045) is 2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole.
What is the SMILES notation for 2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole?
The canonical SMILES for 2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole is CCCCC(C)(CCC)c1nc(F)oc1OC.
What is the InChIKey of 2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole?
The InChIKey is MNTWAHUPCXKWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO2/c1-5-7-9-13(3,8-6-2)10-11(16-4)17-12(14)15-10/h5-9H2,1-4H3.
What are the key properties of 2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole?
2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole has a molecular weight of 243.32 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole is sourced from PubChem (CID 146377045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).