(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone

C8H11N3O2 — CID 65244680

IUPAC(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CC(N)C2)on1
InChIInChI=1S/C8H11N3O2/c1-5-2-7(13-10-5)8(12)11-3-6(9)4-11/h2,6H,3-4,9H2,1H3
InChIKeyGRPPDHTYPYNCJS-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.23
Rot. Bonds1

About (3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone

(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 65244680) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID65244680
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CC(N)C2)on1
InChIInChI=1S/C8H11N3O2/c1-5-2-7(13-10-5)8(12)11-3-6(9)4-11/h2,6H,3-4,9H2,1H3
InChIKeyGRPPDHTYPYNCJS-UHFFFAOYSA-N
XLogP-0.23
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119423963
1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 68604049
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63392780
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63596014
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 120743708
(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32517272
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 68602065
(4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 130522384
2-(3-methyl-1,2-oxazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 66866376

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone (CID 65244680) is (3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2CC(N)C2)on1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is GRPPDHTYPYNCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-2-7(13-10-5)8(12)11-3-6(9)4-11/h2,6H,3-4,9H2,1H3.
What are the key properties of (3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 181.19 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 65244680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).