4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C16H19FN2O — CID 94616382

IUPAC4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O/c1-11-15(12(2)20-18-11)10-19-9-3-4-16(19)13-5-7-14(17)8-6-13/h5-8,16H,3-4,9-10H2,1-2H3/t16-/m1/s1
InChIKeySPJCPFUATJOLRA-MRXNPFEDSA-N
MW274.34 g/mol
LogP3.77
Rot. Bonds3

About 4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 94616382) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID94616382
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O/c1-11-15(12(2)20-18-11)10-19-9-3-4-16(19)13-5-7-14(17)8-6-13/h5-8,16H,3-4,9-10H2,1-2H3/t16-/m1/s1
InChIKeySPJCPFUATJOLRA-MRXNPFEDSA-N
XLogP3.77
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 129398428
5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 134038787
5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 154749204
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 120757064
3-butyl-5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134038786
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
[3-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752300
4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 56705612
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949357
2-(2,4-difluorophenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45212270
3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 129487442

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 94616382) is 4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1CCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is SPJCPFUATJOLRA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11-15(12(2)20-18-11)10-19-9-3-4-16(19)13-5-7-14(17)8-6-13/h5-8,16H,3-4,9-10H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 274.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 94616382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).