(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate

C18H20FNO3 — CID 2423692

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESCc1noc(C)c1COC(=O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C18H20FNO3/c1-12-16(13(2)23-20-12)11-22-17(21)18(8-3-4-9-18)14-6-5-7-15(19)10-14/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyKNMARKMVNSLDFB-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.99
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2423692) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2423692
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESCc1noc(C)c1COC(=O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C18H20FNO3/c1-12-16(13(2)23-20-12)11-22-17(21)18(8-3-4-9-18)14-6-5-7-15(19)10-14/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyKNMARKMVNSLDFB-UHFFFAOYSA-N
XLogP3.99
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 727920
2-Oxo-2-phenylethyl 5-methyl-3-phenylisoxazole-4-carboxylate
CID 569192
Methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate
CID 827480
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-chloro-4,5-difluorobenzoate
CID 2433498
[2-Oxo-2-(2,4,5-trimethylphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3998345
[2-(2-Methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 8850722
Ethyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 22309061
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 2433559
(4Z)-4-(2-fluorobenzylidene)-2-(5-methyl-3-phenylisoxazol-4-yl)-1,3-oxazol-5(4H)-one
CID 6036027
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-(4-chlorophenyl)acetate
CID 2433558
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-(4-bromophenyl)acetate
CID 2434937
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate
CID 2436430

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate (CID 2423692) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate is Cc1noc(C)c1COC(=O)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is KNMARKMVNSLDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12-16(13(2)23-20-12)11-22-17(21)18(8-3-4-9-18)14-6-5-7-15(19)10-14/h5-7,10H,3-4,8-9,11H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 317.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2423692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).