(2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone

C15H23N3O3 — CID 129000667

IUPAC(2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
SMILESCC1OCCCC1C(=O)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C15H23N3O3/c1-12-14(3-2-9-20-12)15(19)18-7-5-17(6-8-18)11-13-4-10-21-16-13/h4,10,12,14H,2-3,5-9,11H2,1H3
InChIKeyQMJFPHXXCQMDMQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.13
Rot. Bonds3

About (2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone

(2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 129000667) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID129000667
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
SMILESCC1OCCCC1C(=O)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C15H23N3O3/c1-12-14(3-2-9-20-12)15(19)18-7-5-17(6-8-18)11-13-4-10-21-16-13/h4,10,12,14H,2-3,5-9,11H2,1H3
InChIKeyQMJFPHXXCQMDMQ-UHFFFAOYSA-N
XLogP1.13
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
CID 124699056
[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129401133
N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 97318816
N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 95967566
[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
CID 128984637
[(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 129399632
[(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 129401181
N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71989959
4-(1,2-oxazol-3-ylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide
CID 95907905
[(2R,3S)-2-ethyloxan-3-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 129492691
[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone
CID 154793910
[(1R,2S)-2-aminocyclopentyl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 124697211

Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone (CID 129000667) is (2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone is CC1OCCCC1C(=O)N1CCN(Cc2ccon2)CC1.
What is the InChIKey of (2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is QMJFPHXXCQMDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-12-14(3-2-9-20-12)15(19)18-7-5-17(6-8-18)11-13-4-10-21-16-13/h4,10,12,14H,2-3,5-9,11H2,1H3.
What are the key properties of (2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone?
(2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 293.37 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 129000667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).