methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate

C14H12FNO3 — CID 122476852

IUPACmethyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(F)c2)oc1C1CC1
InChIInChI=1S/C14H12FNO3/c1-18-14(17)11-12(8-5-6-8)19-13(16-11)9-3-2-4-10(15)7-9/h2-4,7-8H,5-6H2,1H3
InChIKeyOUPLXTDEPVDMHN-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.14
Rot. Bonds3

About methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate

methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate (PubChem CID 122476852) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate
PubChem CID122476852
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Namemethyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(F)c2)oc1C1CC1
InChIInChI=1S/C14H12FNO3/c1-18-14(17)11-12(8-5-6-8)19-13(16-11)9-3-2-4-10(15)7-9/h2-4,7-8H,5-6H2,1H3
InChIKeyOUPLXTDEPVDMHN-UHFFFAOYSA-N
XLogP3.14
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841042
dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953608
dimethyl 2-(3-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953612
methyl 5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 122477173
5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 98293867
5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid
CID 115059786
methyl 2-(3,4-difluorophenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 122476403
5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile
CID 122478638
5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 62586319
methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 58874245
[4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 86841112
dimethyl 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]azepine-2,3-dicarboxylate
CID 168647839

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate (CID 122476852) is methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate is COC(=O)c1nc(-c2cccc(F)c2)oc1C1CC1.
What is the InChIKey of methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is OUPLXTDEPVDMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-18-14(17)11-12(8-5-6-8)19-13(16-11)9-3-2-4-10(15)7-9/h2-4,7-8H,5-6H2,1H3.
What are the key properties of methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate?
methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 261.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 122476852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).