2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

C19H18N4O3 — CID 663891

IUPAC2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1
InChIInChI=1S/C19H18N4O3/c1-24-15-6-4-14(5-7-15)22-8-10-23(11-9-22)19-16(13-20)21-18(26-19)17-3-2-12-25-17/h2-7,12H,8-11H2,1H3
InChIKeyBEQIWVSJHWBFOV-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.14
Rot. Bonds4

About 2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 663891) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID663891
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1
InChIInChI=1S/C19H18N4O3/c1-24-15-6-4-14(5-7-15)22-8-10-23(11-9-22)19-16(13-20)21-18(26-19)17-3-2-12-25-17/h2-7,12H,8-11H2,1H3
InChIKeyBEQIWVSJHWBFOV-UHFFFAOYSA-N
XLogP3.14
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 663891) is 2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is COc1ccc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is BEQIWVSJHWBFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-24-15-6-4-14(5-7-15)22-8-10-23(11-9-22)19-16(13-20)21-18(26-19)17-3-2-12-25-17/h2-7,12H,8-11H2,1H3.
What are the key properties of 2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 350.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 663891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).