3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole

C19H25N3O2 — CID 169196789

IUPAC3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESC=C(C)Cc1ccc(OC)c(-c2cc(CN3CCNCC3)on2)c1
InChIInChI=1S/C19H25N3O2/c1-14(2)10-15-4-5-19(23-3)17(11-15)18-12-16(24-21-18)13-22-8-6-20-7-9-22/h4-5,11-12,20H,1,6-10,13H2,2-3H3
InChIKeyFDSPIWJHISPPDX-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.87
Rot. Bonds6

About 3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole

3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole (PubChem CID 169196789) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole
PubChem CID169196789
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESC=C(C)Cc1ccc(OC)c(-c2cc(CN3CCNCC3)on2)c1
InChIInChI=1S/C19H25N3O2/c1-14(2)10-15-4-5-19(23-3)17(11-15)18-12-16(24-21-18)13-22-8-6-20-7-9-22/h4-5,11-12,20H,1,6-10,13H2,2-3H3
InChIKeyFDSPIWJHISPPDX-UHFFFAOYSA-N
XLogP2.87
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 169196786
[3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol
CID 169196805
2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol
CID 169196793
3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 96621570
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile
CID 155249642
3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 94700421
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704
3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117399583
5-(piperazin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397942
1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 24853480
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole (CID 169196789) is 3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole is C=C(C)Cc1ccc(OC)c(-c2cc(CN3CCNCC3)on2)c1.
What is the InChIKey of 3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The InChIKey is FDSPIWJHISPPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)10-15-4-5-19(23-3)17(11-15)18-12-16(24-21-18)13-22-8-6-20-7-9-22/h4-5,11-12,20H,1,6-10,13H2,2-3H3.
What are the key properties of 3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole?
3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole has a molecular weight of 327.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-5-(piperazin-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 169196789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).