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

C18H21N3O2 — CID 17127033

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1
InChIInChI=1S/C18H21N3O2/c1-3-9-20-10-12-21(13-11-20)18(22)16-14(2)23-19-17(16)15-7-5-4-6-8-15/h3-8H,1,9-13H2,2H3
InChIKeyURQYKTWJNVJONY-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.59
Rot. Bonds4

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

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone (PubChem CID 17127033) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
PubChem CID17127033
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1
InChIInChI=1S/C18H21N3O2/c1-3-9-20-10-12-21(13-11-20)18(22)16-14(2)23-19-17(16)15-7-5-4-6-8-15/h3-8H,1,9-13H2,2H3
InChIKeyURQYKTWJNVJONY-UHFFFAOYSA-N
XLogP2.59
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone (CID 17127033) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone is C=CCN1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The InChIKey is URQYKTWJNVJONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-9-20-10-12-21(13-11-20)18(22)16-14(2)23-19-17(16)15-7-5-4-6-8-15/h3-8H,1,9-13H2,2H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone has a molecular weight of 311.38 g/mol, XLogP of 2.59, 4 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-prop-2-enylpiperazin-1-yl)methanone is sourced from PubChem (CID 17127033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).