1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide

C18H18N4O5 — CID 39313732

IUPAC1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESN#Cc1nc(COc2ccc3c(c2)OCO3)oc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H18N4O5/c19-8-13-18(22-5-3-11(4-6-22)17(20)23)27-16(21-13)9-24-12-1-2-14-15(7-12)26-10-25-14/h1-2,7,11H,3-6,9-10H2,(H2,20,23)
InChIKeyBBKKYAWEYUZZAK-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.56
Rot. Bonds5

About 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide

1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 39313732) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID39313732
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESN#Cc1nc(COc2ccc3c(c2)OCO3)oc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H18N4O5/c19-8-13-18(22-5-3-11(4-6-22)17(20)23)27-16(21-13)9-24-12-1-2-14-15(7-12)26-10-25-14/h1-2,7,11H,3-6,9-10H2,(H2,20,23)
InChIKeyBBKKYAWEYUZZAK-UHFFFAOYSA-N
XLogP1.56
TPSA123.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 1080230
1-[2-[(4-chlorophenoxy)methyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxylic acid
CID 22300072
1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide
CID 664488
2-(1,3-benzodioxol-5-yloxymethyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
CID 39308513
1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 6926883
5-(4-benzylpiperidin-1-yl)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 18822814
1-[4-cyano-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 44616242
5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 1177296
1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 139582768
5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 713880
2-[(4-bromophenoxy)methyl]-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazole-4-carbonitrile
CID 1177321
2-[(4-bromophenoxy)methyl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 1177306

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 39313732) is 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide is N#Cc1nc(COc2ccc3c(c2)OCO3)oc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is BBKKYAWEYUZZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c19-8-13-18(22-5-3-11(4-6-22)17(20)23)27-16(21-13)9-24-12-1-2-14-15(7-12)26-10-25-14/h1-2,7,11H,3-6,9-10H2,(H2,20,23).
What are the key properties of 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 39313732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).