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

C15H17N3O2 — CID 3245439

IUPAC(5-methyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C15H17N3O2/c1-12-11-14(16-20-12)15(19)18-9-7-17(8-10-18)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyUZTXSECZYQKXHT-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.95
Rot. Bonds2

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

(5-methyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 3245439) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID3245439
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C15H17N3O2/c1-12-11-14(16-20-12)15(19)18-9-7-17(8-10-18)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyUZTXSECZYQKXHT-UHFFFAOYSA-N
XLogP1.95
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-
CID 27537
N,N-dicyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5309153
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
4-(4-Methoxyphenyl)piperazinyl 5-methylisoxazol-3-yl ketone
CID 842091
5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 2814205
N-cyclohexyl-N,5-dimethyl-3-isoxazolecarboxamide
CID 2814457
N-cyclohexyl-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 3158158
5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-3-carboxamide
CID 4786601
1-(5-Methyl-4-nitro-1,2-oxazole-3-carbonyl)-4-phenylpiperazine
CID 20864742
5-methyl-N-(4-methylphenyl)-3-isoxazolecarboxamide
CID 3236095
3-Isoxazolecarboxamide, 5-methyl-N-phenyl-
CID 2744550

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (CID 3245439) is (5-methyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is UZTXSECZYQKXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-12-11-14(16-20-12)15(19)18-9-7-17(8-10-18)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
(5-methyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 3245439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).