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

C15H21N3O3 — CID 170511578

IUPAC(1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESNC1(C(=O)N2CCc3oc(C4CCOC4)nc3C2)CCC1
InChIInChI=1S/C15H21N3O3/c16-15(4-1-5-15)14(19)18-6-2-12-11(8-18)17-13(21-12)10-3-7-20-9-10/h10H,1-9,16H2
InChIKeyNTOGGIJHZCOCOO-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.94
Rot. Bonds2

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

(1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170511578) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID170511578
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESNC1(C(=O)N2CCc3oc(C4CCOC4)nc3C2)CCC1
InChIInChI=1S/C15H21N3O3/c16-15(4-1-5-15)14(19)18-6-2-12-11(8-18)17-13(21-12)10-3-7-20-9-10/h10H,1-9,16H2
InChIKeyNTOGGIJHZCOCOO-UHFFFAOYSA-N
XLogP0.94
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 170511578) is (1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is NC1(C(=O)N2CCc3oc(C4CCOC4)nc3C2)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is NTOGGIJHZCOCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-15(4-1-5-15)14(19)18-6-2-12-11(8-18)17-13(21-12)10-3-7-20-9-10/h10H,1-9,16H2.
What are the key properties of (1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
(1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 291.35 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170511578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).