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

C16H19N3O2 — CID 2304310

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H19N3O2/c1-12-15(13(2)21-17-12)16(20)19-10-8-18(9-11-19)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyFQSIATNPPBPTDF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.25
Rot. Bonds2

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

(3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2304310) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID2304310
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H19N3O2/c1-12-15(13(2)21-17-12)16(20)19-10-8-18(9-11-19)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyFQSIATNPPBPTDF-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 2304310) is (3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1noc(C)c1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is FQSIATNPPBPTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-15(13(2)21-17-12)16(20)19-10-8-18(9-11-19)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2304310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).