1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

C15H22N2O3 — CID 91908886

IUPAC1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C15H22N2O3/c1-10-14(11(2)20-16-10)7-15(18)17-6-5-13(8-17)19-9-12-3-4-12/h12-13H,3-9H2,1-2H3
InChIKeyWWODCBIAWVSEDX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.86
Rot. Bonds5

About 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 91908886) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
PubChem CID91908886
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C15H22N2O3/c1-10-14(11(2)20-16-10)7-15(18)17-6-5-13(8-17)19-9-12-3-4-12/h12-13H,3-9H2,1-2H3
InChIKeyWWODCBIAWVSEDX-UHFFFAOYSA-N
XLogP1.86
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (CID 91908886) is 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is Cc1noc(C)c1CC(=O)N1CCC(OCC2CC2)C1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is WWODCBIAWVSEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-14(11(2)20-16-10)7-15(18)17-6-5-13(8-17)19-9-12-3-4-12/h12-13H,3-9H2,1-2H3.
What are the key properties of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 278.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 91908886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).