(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone

C16H19N3O2 — CID 700909

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H19N3O2/c1-12-14(16(20)19-10-8-18(2)9-11-19)15(17-21-12)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3
InChIKeyUFQRILUZLPVTJV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.04
Rot. Bonds2

About (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 700909) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID700909
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H19N3O2/c1-12-14(16(20)19-10-8-18(2)9-11-19)15(17-21-12)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3
InChIKeyUFQRILUZLPVTJV-UHFFFAOYSA-N
XLogP2.04
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Propyl-5-(3-p-tolylisoxazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 9817231
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
2(1H)-Pyridinone, 5-(3,5-dimethyl-4-isoxazolyl)-1-(phenylmethyl)-
CID 76683643
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
3-(2-chlorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 707574
Mls003170801
CID 332790
1-[(5-Methyl-3-phenylisoxazol-4-yl)carbonyl]-1,2,3,4,6,10b-hexahydropyrimido[2,1-a]isoindol-6-one
CID 330502
Azepan-1-yl-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-methanone
CID 717954

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone (CID 700909) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C)CC1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is UFQRILUZLPVTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-14(16(20)19-10-8-18(2)9-11-19)15(17-21-12)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 700909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).