(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone

C13H19N3O2 — CID 115267997

IUPAC(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone
SMILESNc1nc2c(o1)CCN(C(=O)C1CCCCC1)C2
InChIInChI=1S/C13H19N3O2/c14-13-15-10-8-16(7-6-11(10)18-13)12(17)9-4-2-1-3-5-9/h9H,1-8H2,(H2,14,15)
InChIKeyDCWODGFENJZFMI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.72
Rot. Bonds1

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

(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone (PubChem CID 115267997) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone.

Molecular Properties

Compound Name(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone
PubChem CID115267997
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone
SMILESNc1nc2c(o1)CCN(C(=O)C1CCCCC1)C2
InChIInChI=1S/C13H19N3O2/c14-13-15-10-8-16(7-6-11(10)18-13)12(17)9-4-2-1-3-5-9/h9H,1-8H2,(H2,14,15)
InChIKeyDCWODGFENJZFMI-UHFFFAOYSA-N
XLogP1.72
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone
CID 115273392
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 170511079
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 170507073
[4-(azepan-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclohexylmethanone
CID 5260777
2-[3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]acetamide
CID 169422021
(1,1-dioxothiolan-3-yl)-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170503250
4-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)piperidin-2-one
CID 170502297
4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 170512642
[1-(2-hydroxyethyl)piperidin-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170503407
[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170506980
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone?
The IUPAC name of (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone (CID 115267997) is (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone.
What is the SMILES notation for (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone?
The canonical SMILES for (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone is Nc1nc2c(o1)CCN(C(=O)C1CCCCC1)C2.
What is the InChIKey of (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone?
The InChIKey is DCWODGFENJZFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-13-15-10-8-16(7-6-11(10)18-13)12(17)9-4-2-1-3-5-9/h9H,1-8H2,(H2,14,15).
What are the key properties of (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone?
(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone has a molecular weight of 249.31 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone is sourced from PubChem (CID 115267997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).