butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate

C20H24N4O4 — CID 91216946

IUPACbutan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate
SMILESCCC(C)OC(=O)N1CCC(C(c2ncon2)c2cc3cnccc3o2)CC1
InChIInChI=1S/C20H24N4O4/c1-3-13(2)27-20(25)24-8-5-14(6-9-24)18(19-22-12-26-23-19)17-10-15-11-21-7-4-16(15)28-17/h4,7,10-14,18H,3,5-6,8-9H2,1-2H3
InChIKeyGRTVPAVEGXNRND-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.99
Rot. Bonds5

About butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate

butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate (PubChem CID 91216946) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate
PubChem CID91216946
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Namebutan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate
SMILESCCC(C)OC(=O)N1CCC(C(c2ncon2)c2cc3cnccc3o2)CC1
InChIInChI=1S/C20H24N4O4/c1-3-13(2)27-20(25)24-8-5-14(6-9-24)18(19-22-12-26-23-19)17-10-15-11-21-7-4-16(15)28-17/h4,7,10-14,18H,3,5-6,8-9H2,1-2H3
InChIKeyGRTVPAVEGXNRND-UHFFFAOYSA-N
XLogP3.99
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

4-Acylamino-6-arylfuro[2,3-d]pyrimidine 24
CID 6539758
Benzyl 4-[[5-(3,5-dimethylisoxazol-4-yl)-1-(trideuteriomethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-1-carboxylate
CID 132099515
4-(2-Furyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
CID 56681910
[3-(Furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-(3-methylphenyl)methanone
CID 145982102
5-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-YL]-N-[3-(furan-2-YL)propyl]-N-methylpyridin-2-amine
CID 53126790
furo[3,2-c]pyridin-7-ylmethyl N-fluoro-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate
CID 89543071
furo[3,2-c]pyridin-7-ylmethyl N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate
CID 89543132
furo[3,2-c]pyridin-7-ylmethyl N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate
CID 89543220
furo[3,2-c]pyridin-7-ylmethyl N-[[2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate
CID 89543326
furo[3,2-c]pyridin-7-ylmethyl N-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate
CID 89543329
furo[3,2-c]pyridin-7-ylmethyl N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl]carbamate
CID 145572437
furo[3,2-c]pyridin-7-ylmethyl N-[3-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl]carbamate
CID 145572464

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate (CID 91216946) is butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate is CCC(C)OC(=O)N1CCC(C(c2ncon2)c2cc3cnccc3o2)CC1.
What is the InChIKey of butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate?
The InChIKey is GRTVPAVEGXNRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-3-13(2)27-20(25)24-8-5-14(6-9-24)18(19-22-12-26-23-19)17-10-15-11-21-7-4-16(15)28-17/h4,7,10-14,18H,3,5-6,8-9H2,1-2H3.
What are the key properties of butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate?
butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 91216946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).