[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C26H29N3O3 — CID 2097552

IUPAC[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1COc1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C26H29N3O3/c1-20-25(21(2)32-27-20)19-31-24-12-6-11-23(18-24)26(30)29-16-14-28(15-17-29)13-7-10-22-8-4-3-5-9-22/h3-12,18H,13-17,19H2,1-2H3/b10-7+
InChIKeyBCJIVCIRMMYWCD-JXMROGBWSA-N
MW431.54 g/mol
LogP4.34
Rot. Bonds7

About [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 2097552) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID2097552
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1COc1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C26H29N3O3/c1-20-25(21(2)32-27-20)19-31-24-12-6-11-23(18-24)26(30)29-16-14-28(15-17-29)13-7-10-22-8-4-3-5-9-22/h3-12,18H,13-17,19H2,1-2H3/b10-7+
InChIKeyBCJIVCIRMMYWCD-JXMROGBWSA-N
XLogP4.34
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2111790
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
1-[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4846811
5-(3-Methoxyphenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 17252862
4-[5-(2-Methoxyphenyl)-1,2-oxazole-3-carbonyl]morpholine
CID 22427430
[5-(2,5-Dimethoxyphenyl)-3-isoxazolyl]-(4-morpholinyl)methanone
CID 22427462
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)benzamide
CID 24818340
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2598908
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide
CID 2998641
1-{4-[5-(4-Ethoxyphenyl)isoxazol-3-yl]butanoyl}-4-(4-methoxyphenyl)piperazine
CID 5309100
{2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl}{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}methanone
CID 25161947

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 2097552) is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is Cc1noc(C)c1COc1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1.
What is the InChIKey of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is BCJIVCIRMMYWCD-JXMROGBWSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-20-25(21(2)32-27-20)19-31-24-12-6-11-23(18-24)26(30)29-16-14-28(15-17-29)13-7-10-22-8-4-3-5-9-22/h3-12,18H,13-17,19H2,1-2H3/b10-7+.
What are the key properties of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 431.54 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2097552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).