1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide

C19H18N6O4 — CID 78862319

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NNC(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C19H18N6O4/c20-11-14-19(29-18(22-14)15-4-2-10-28-15)25-8-5-12(6-9-25)16(26)23-24-17(27)13-3-1-7-21-13/h1-4,7,10,12,21H,5-6,8-9H2,(H,23,26)(H,24,27)
InChIKeyFBFWEEFOECORSH-UHFFFAOYSA-N
MW394.39 g/mol
LogP1.81
Rot. Bonds4

About 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide (PubChem CID 78862319) has the molecular formula C19H18N6O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide
PubChem CID78862319
Molecular FormulaC19H18N6O4
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NNC(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C19H18N6O4/c20-11-14-19(29-18(22-14)15-4-2-10-28-15)25-8-5-12(6-9-25)16(26)23-24-17(27)13-3-1-7-21-13/h1-4,7,10,12,21H,5-6,8-9H2,(H,23,26)(H,24,27)
InChIKeyFBFWEEFOECORSH-UHFFFAOYSA-N
XLogP1.81
TPSA140.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide
CID 46408047
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-cyclohexylethyl)piperidine-4-carboxamide
CID 46439610
N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600715
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 43072707
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46600403
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 56559097
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide
CID 55631863
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-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 43072748
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(methoxymethyl)phenyl]piperidine-4-carboxamide
CID 55780102
methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate
CID 55877581

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide (CID 78862319) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NNC(=O)c2ccc[nH]2)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide?
The InChIKey is FBFWEEFOECORSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4/c20-11-14-19(29-18(22-14)15-4-2-10-28-15)25-8-5-12(6-9-25)16(26)23-24-17(27)13-3-1-7-21-13/h1-4,7,10,12,21H,5-6,8-9H2,(H,23,26)(H,24,27).
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide has a molecular weight of 394.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 78862319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).