5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole

C11H16N2O — CID 53017343

IUPAC5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
SMILESc1c(CN2CCCC2)noc1C1CC1
InChIInChI=1S/C11H16N2O/c1-2-6-13(5-1)8-10-7-11(14-12-10)9-3-4-9/h7,9H,1-6,8H2
InChIKeyJJEJXUBQZFBQME-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.15
Rot. Bonds3

About 5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole

5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole (PubChem CID 53017343) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
PubChem CID53017343
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
SMILESc1c(CN2CCCC2)noc1C1CC1
InChIInChI=1S/C11H16N2O/c1-2-6-13(5-1)8-10-7-11(14-12-10)9-3-4-9/h7,9H,1-6,8H2
InChIKeyJJEJXUBQZFBQME-UHFFFAOYSA-N
XLogP2.15
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol
CID 171323981
5-cyclopropyl-3-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole
CID 165435543
5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole
CID 171999260
2-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]propan-2-ol
CID 172890964
5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 171326449
5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
CID 163350927
[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163352828
5-cyclopropyl-3-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,2-oxazole
CID 171994431
5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 172891311
4-N-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 175649102
2-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 167871394
5-bromo-N-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328275

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole (CID 53017343) is 5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole is c1c(CN2CCCC2)noc1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole?
The InChIKey is JJEJXUBQZFBQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-6-13(5-1)8-10-7-11(14-12-10)9-3-4-9/h7,9H,1-6,8H2.
What are the key properties of 5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole?
5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole has a molecular weight of 192.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 53017343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).