(2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone

C15H17N3O2 — CID 119473005

IUPAC(2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESCC1CNCCN1C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C15H17N3O2/c1-11-10-16-7-8-18(11)15(19)14-9-13(17-20-14)12-5-3-2-4-6-12/h2-6,9,11,16H,7-8,10H2,1H3
InChIKeyXACLZMAMEMBKTN-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.78
Rot. Bonds2

About (2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone

(2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone (PubChem CID 119473005) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone
PubChem CID119473005
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESCC1CNCCN1C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C15H17N3O2/c1-11-10-16-7-8-18(11)15(19)14-9-13(17-20-14)12-5-3-2-4-6-12/h2-6,9,11,16H,7-8,10H2,1H3
InChIKeyXACLZMAMEMBKTN-UHFFFAOYSA-N
XLogP1.78
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 119472810
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 120732866
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473594
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729069
(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119472210
(3R,6R)-6-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 95585010
(5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one
CID 96577215
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176237
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622
(5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704923
(2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone
CID 62671508

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of (2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone (CID 119473005) is (2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for (2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone is CC1CNCCN1C(=O)c1cc(-c2ccccc2)no1.
What is the InChIKey of (2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone?
The InChIKey is XACLZMAMEMBKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-10-16-7-8-18(11)15(19)14-9-13(17-20-14)12-5-3-2-4-6-12/h2-6,9,11,16H,7-8,10H2,1H3.
What are the key properties of (2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone?
(2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 119473005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).