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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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).