2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole

C15H15F2NO3 — CID 141172015

IUPAC2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole
SMILESFC(F)Oc1ccc(-c2ncco2)cc1OCC1CCC1
InChIInChI=1S/C15H15F2NO3/c16-15(17)21-12-5-4-11(14-18-6-7-19-14)8-13(12)20-9-10-2-1-3-10/h4-8,10,15H,1-3,9H2
InChIKeyZFTIRLXCGHAUKS-UHFFFAOYSA-N
MW295.28 g/mol
LogP4.12
Rot. Bonds6

About 2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole

2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole (PubChem CID 141172015) has the molecular formula C15H15F2NO3 and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole
PubChem CID141172015
Molecular FormulaC15H15F2NO3
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole
SMILESFC(F)Oc1ccc(-c2ncco2)cc1OCC1CCC1
InChIInChI=1S/C15H15F2NO3/c16-15(17)21-12-5-4-11(14-18-6-7-19-14)8-13(12)20-9-10-2-1-3-10/h4-8,10,15H,1-3,9H2
InChIKeyZFTIRLXCGHAUKS-UHFFFAOYSA-N
XLogP4.12
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 175913687
3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl 5-carbamoylpyridine-2-carboxylate
CID 175553188
1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol
CID 68754552
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone
CID 141428306
5-[(1S)-1-aminoethyl]-N-(cyclopropylmethoxy)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 141463914
7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine
CID 24776132
[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine
CID 68521776
5-(aminomethyl)-N-benzyl-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 144949461
3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one
CID 159743912
[5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 145026580

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole?
The IUPAC name of 2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole (CID 141172015) is 2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole?
The canonical SMILES for 2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole is FC(F)Oc1ccc(-c2ncco2)cc1OCC1CCC1.
What is the InChIKey of 2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole?
The InChIKey is ZFTIRLXCGHAUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3/c16-15(17)21-12-5-4-11(14-18-6-7-19-14)8-13(12)20-9-10-2-1-3-10/h4-8,10,15H,1-3,9H2.
What are the key properties of 2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole?
2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole has a molecular weight of 295.28 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole is sourced from PubChem (CID 141172015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).