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

C12H18N4O2 — CID 66201861

IUPAC(5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CC(N3CCNCC3)C2)no1
InChIInChI=1S/C12H18N4O2/c1-9-6-11(14-18-9)12(17)16-7-10(8-16)15-4-2-13-3-5-15/h6,10,13H,2-5,7-8H2,1H3
InChIKeyCCVDXJBVTXWOLA-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.29
Rot. Bonds2

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

(5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone (PubChem CID 66201861) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
PubChem CID66201861
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CC(N3CCNCC3)C2)no1
InChIInChI=1S/C12H18N4O2/c1-9-6-11(14-18-9)12(17)16-7-10(8-16)15-4-2-13-3-5-15/h6,10,13H,2-5,7-8H2,1H3
InChIKeyCCVDXJBVTXWOLA-UHFFFAOYSA-N
XLogP-0.29
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428158
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683
(5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 86265293
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
(3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66203007
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471
(3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 66203787
(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 72716281
(3-chloro-4-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 102961313
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 66202057

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone (CID 66201861) is (5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone is Cc1cc(C(=O)N2CC(N3CCNCC3)C2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The InChIKey is CCVDXJBVTXWOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-6-11(14-18-9)12(17)16-7-10(8-16)15-4-2-13-3-5-15/h6,10,13H,2-5,7-8H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
(5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 66201861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).