N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide

C16H18N6O4 — CID 30891778

IUPACN-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(CCC(=O)NC(N)=O)CC1
InChIInChI=1S/C16H18N6O4/c17-10-11-15(26-14(19-11)12-2-1-9-25-12)22-7-5-21(6-8-22)4-3-13(23)20-16(18)24/h1-2,9H,3-8H2,(H3,18,20,23,24)
InChIKeyWDZXICHGWPRQJG-UHFFFAOYSA-N
MW358.36 g/mol
LogP0.51
Rot. Bonds5

About N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide

N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide (PubChem CID 30891778) has the molecular formula C16H18N6O4 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
PubChem CID30891778
Molecular FormulaC16H18N6O4
Molecular Weight358.36 g/mol
Exact Mass358.14
IUPAC NameN-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(CCC(=O)NC(N)=O)CC1
InChIInChI=1S/C16H18N6O4/c17-10-11-15(26-14(19-11)12-2-1-9-25-12)22-7-5-21(6-8-22)4-3-13(23)20-16(18)24/h1-2,9H,3-8H2,(H3,18,20,23,24)
InChIKeyWDZXICHGWPRQJG-UHFFFAOYSA-N
XLogP0.51
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-chlorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
CID 43065748
3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 30891808
N-(4-bromo-2-fluorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
CID 30891820
5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 30891811
2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-phenylacetamide
CID 46574018
2-chloro-N'-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]benzohydrazide
CID 46594649
[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate
CID 55731886
N-[1-(4-bromophenyl)ethyl]-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetamide
CID 43061622
2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 78862509
2-[[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 30870238
4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 78888422
5-[4-[2-(benzotriazol-1-yl)acetyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 55618232

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide (CID 30891778) is N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide is N#Cc1nc(-c2ccco2)oc1N1CCN(CCC(=O)NC(N)=O)CC1.
What is the InChIKey of N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide?
The InChIKey is WDZXICHGWPRQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O4/c17-10-11-15(26-14(19-11)12-2-1-9-25-12)22-7-5-21(6-8-22)4-3-13(23)20-16(18)24/h1-2,9H,3-8H2,(H3,18,20,23,24).
What are the key properties of N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide?
N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide has a molecular weight of 358.36 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30891778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).