[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone

C16H21FN2O3 — CID 131685149

IUPAC[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone
SMILESO=C(N1CCc2onc(COCC3CC3)c2C1)C1(F)CCC1
InChIInChI=1S/C16H21FN2O3/c17-16(5-1-6-16)15(20)19-7-4-14-12(8-19)13(18-22-14)10-21-9-11-2-3-11/h11H,1-10H2
InChIKeyPGYJPKQJWAMWSI-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.38
Rot. Bonds5

About [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone

[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone (PubChem CID 131685149) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone
PubChem CID131685149
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone
SMILESO=C(N1CCc2onc(COCC3CC3)c2C1)C1(F)CCC1
InChIInChI=1S/C16H21FN2O3/c17-16(5-1-6-16)15(20)19-7-4-14-12(8-19)13(18-22-14)10-21-9-11-2-3-11/h11H,1-10H2
InChIKeyPGYJPKQJWAMWSI-UHFFFAOYSA-N
XLogP2.38
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone?
The IUPAC name of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone (CID 131685149) is [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone is O=C(N1CCc2onc(COCC3CC3)c2C1)C1(F)CCC1.
What is the InChIKey of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone?
The InChIKey is PGYJPKQJWAMWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c17-16(5-1-6-16)15(20)19-7-4-14-12(8-19)13(18-22-14)10-21-9-11-2-3-11/h11H,1-10H2.
What are the key properties of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone?
[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone has a molecular weight of 308.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone is sourced from PubChem (CID 131685149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).