2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile

C20H25N5O4 — CID 78862509

IUPAC2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(CCO)CC2)CC1
InChIInChI=1S/C20H25N5O4/c21-14-16-20(29-18(22-16)17-2-1-13-28-17)25-5-3-15(4-6-25)19(27)24-9-7-23(8-10-24)11-12-26/h1-2,13,15,26H,3-12H2
InChIKeyZEFNLNWUJFXIAD-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.16
Rot. Bonds5

About 2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile

2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 78862509) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID78862509
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(CCO)CC2)CC1
InChIInChI=1S/C20H25N5O4/c21-14-16-20(29-18(22-16)17-2-1-13-28-17)25-5-3-15(4-6-25)19(27)24-9-7-23(8-10-24)11-12-26/h1-2,13,15,26H,3-12H2
InChIKeyZEFNLNWUJFXIAD-UHFFFAOYSA-N
XLogP1.16
TPSA109.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile with MolForge

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Related Compounds

5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 46407290
4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide
CID 55601474
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 86943452
N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600715
5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 112833827
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide
CID 55678391
5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 55617993
N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
CID 30891778
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 46437822
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 49394486
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-cyclohexylethyl)piperidine-4-carboxamide
CID 46439610
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide
CID 55670274

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile (CID 78862509) is 2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(CCO)CC2)CC1.
What is the InChIKey of 2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is ZEFNLNWUJFXIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c21-14-16-20(29-18(22-16)17-2-1-13-28-17)25-5-3-15(4-6-25)19(27)24-9-7-23(8-10-24)11-12-26/h1-2,13,15,26H,3-12H2.
What are the key properties of 2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 399.45 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 78862509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).