4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole

C14H14FNO2 — CID 162638174

IUPAC4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ocnc2CC2CC2)cc1F
InChIInChI=1S/C14H14FNO2/c1-17-13-5-4-10(7-11(13)15)14-12(16-8-18-14)6-9-2-3-9/h4-5,7-9H,2-3,6H2,1H3
InChIKeyRNZMCISJTWPYBR-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.44
Rot. Bonds4

About 4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole

4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole (PubChem CID 162638174) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
PubChem CID162638174
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ocnc2CC2CC2)cc1F
InChIInChI=1S/C14H14FNO2/c1-17-13-5-4-10(7-11(13)15)14-12(16-8-18-14)6-9-2-3-9/h4-5,7-9H,2-3,6H2,1H3
InChIKeyRNZMCISJTWPYBR-UHFFFAOYSA-N
XLogP3.44
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid
CID 163312191
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 141261474
1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 163307292
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
1-(cyclopropylmethyl)-3-[[(5S)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 124739703
3-[[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methoxy]cyclobutan-1-amine
CID 146249155
5-ethyl-6-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-amine
CID 65101175
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 107952862
4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline
CID 118373092
N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 116977086

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole (CID 162638174) is 4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2ocnc2CC2CC2)cc1F.
What is the InChIKey of 4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The InChIKey is RNZMCISJTWPYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-17-13-5-4-10(7-11(13)15)14-12(16-8-18-14)6-9-2-3-9/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole has a molecular weight of 247.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 162638174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).