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

C15H16F2N2O — CID 95056207

IUPAC5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc([C@H]2CCCN2Cc2ccc(F)cc2F)on1
InChIInChI=1S/C15H16F2N2O/c1-10-7-15(20-18-10)14-3-2-6-19(14)9-11-4-5-12(16)8-13(11)17/h4-5,7-8,14H,2-3,6,9H2,1H3/t14-/m1/s1
InChIKeyONDQOJKVNJQRGZ-CQSZACIVSA-N
MW278.30 g/mol
LogP3.60
Rot. Bonds3

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

5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (PubChem CID 95056207) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
PubChem CID95056207
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc([C@H]2CCCN2Cc2ccc(F)cc2F)on1
InChIInChI=1S/C15H16F2N2O/c1-10-7-15(20-18-10)14-3-2-6-19(14)9-11-4-5-12(16)8-13(11)17/h4-5,7-8,14H,2-3,6,9H2,1H3/t14-/m1/s1
InChIKeyONDQOJKVNJQRGZ-CQSZACIVSA-N
XLogP3.60
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 93070269
5-[(2S)-1-[(2-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584502
5-[1-[(4-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 46952927
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009621
5-[(2S)-1-[(3-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584498
5-[1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 53009613
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056201
5-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 53034979
3-methyl-5-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415528
2-(4-fluorophenyl)-4-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 94136515
3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415401

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (CID 95056207) is 5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is Cc1cc([C@H]2CCCN2Cc2ccc(F)cc2F)on1.
What is the InChIKey of 5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is ONDQOJKVNJQRGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-10-7-15(20-18-10)14-3-2-6-19(14)9-11-4-5-12(16)8-13(11)17/h4-5,7-8,14H,2-3,6,9H2,1H3/t14-/m1/s1.
What are the key properties of 5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 278.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 95056207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).