[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

C20H24N4O3 — CID 120807327

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCCCc1noc2nc(-c3ccco3)cc(C(=O)N3CCC(C)(CN)C3)c12
InChIInChI=1S/C20H24N4O3/c1-3-5-14-17-13(19(25)24-8-7-20(2,11-21)12-24)10-15(16-6-4-9-26-16)22-18(17)27-23-14/h4,6,9-10H,3,5,7-8,11-12,21H2,1-2H3
InChIKeyLRGZBNVMNRWNLQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.25
Rot. Bonds5

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 120807327) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID120807327
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCCCc1noc2nc(-c3ccco3)cc(C(=O)N3CCC(C)(CN)C3)c12
InChIInChI=1S/C20H24N4O3/c1-3-5-14-17-13(19(25)24-8-7-20(2,11-21)12-24)10-15(16-6-4-9-26-16)22-18(17)27-23-14/h4,6,9-10H,3,5,7-8,11-12,21H2,1-2H3
InChIKeyLRGZBNVMNRWNLQ-UHFFFAOYSA-N
XLogP3.25
TPSA98.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (CID 120807327) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is CCCc1noc2nc(-c3ccco3)cc(C(=O)N3CCC(C)(CN)C3)c12.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is LRGZBNVMNRWNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-5-14-17-13(19(25)24-8-7-20(2,11-21)12-24)10-15(16-6-4-9-26-16)22-18(17)27-23-14/h4,6,9-10H,3,5,7-8,11-12,21H2,1-2H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 120807327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).