5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole

C11H14F2N2O — CID 163350927

IUPAC5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
SMILESFC1(F)CCN(Cc2cc(C3CC3)on2)C1
InChIInChI=1S/C11H14F2N2O/c12-11(13)3-4-15(7-11)6-9-5-10(16-14-9)8-1-2-8/h5,8H,1-4,6-7H2
InChIKeyWJXJXKDSBZIAHM-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.39
Rot. Bonds3

About 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole

5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole (PubChem CID 163350927) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
PubChem CID163350927
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
SMILESFC1(F)CCN(Cc2cc(C3CC3)on2)C1
InChIInChI=1S/C11H14F2N2O/c12-11(13)3-4-15(7-11)6-9-5-10(16-14-9)8-1-2-8/h5,8H,1-4,6-7H2
InChIKeyWJXJXKDSBZIAHM-UHFFFAOYSA-N
XLogP2.39
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
CID 53017343
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol
CID 171323981
5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 171326449
5-cyclopropyl-3-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,2-oxazole
CID 171994431
5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole
CID 171999260
(5S)-7-(cyclobutylmethyl)-2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97141091
2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 167871394
2-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]propan-2-ol
CID 172890964
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 172891311
5-cyclopropyl-3-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole
CID 165435543
5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 155974648

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole (CID 163350927) is 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole is FC1(F)CCN(Cc2cc(C3CC3)on2)C1.
What is the InChIKey of 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole?
The InChIKey is WJXJXKDSBZIAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-11(13)3-4-15(7-11)6-9-5-10(16-14-9)8-1-2-8/h5,8H,1-4,6-7H2.
What are the key properties of 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole?
5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole has a molecular weight of 228.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 163350927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).