(5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone

C18H20F2N2O2 — CID 166274673

IUPAC(5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone
SMILESCC(C)(C)c1cnc(C(=O)N2CCCC2c2cc(F)ccc2F)o1
InChIInChI=1S/C18H20F2N2O2/c1-18(2,3)15-10-21-16(24-15)17(23)22-8-4-5-14(22)12-9-11(19)6-7-13(12)20/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyGRNLNFGUGXCTOK-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.23
Rot. Bonds2

About (5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone

(5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 166274673) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is (5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID166274673
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone
SMILESCC(C)(C)c1cnc(C(=O)N2CCCC2c2cc(F)ccc2F)o1
InChIInChI=1S/C18H20F2N2O2/c1-18(2,3)15-10-21-16(24-15)17(23)22-8-4-5-14(22)12-9-11(19)6-7-13(12)20/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyGRNLNFGUGXCTOK-UHFFFAOYSA-N
XLogP4.23
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 166330239
N-tert-butyl-5-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]-2-fluorobenzenesulfonamide
CID 166330291
[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanone
CID 166282587
tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
CID 118337502
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
tert-butyl (2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 86664582
N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide
CID 166292760
[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
CID 138023713
(5-tert-butyl-1H-pyrazol-3-yl)-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
CID 110120684
2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid
CID 146196818
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 67470714

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone (CID 166274673) is (5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone is CC(C)(C)c1cnc(C(=O)N2CCCC2c2cc(F)ccc2F)o1.
What is the InChIKey of (5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is GRNLNFGUGXCTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-18(2,3)15-10-21-16(24-15)17(23)22-8-4-5-14(22)12-9-11(19)6-7-13(12)20/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of (5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone?
(5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 334.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166274673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).