N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide

C23H26N4O4 — CID 171907297

IUPACN-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCC2(CCN(Cc3cc(-c4cccnc4)no3)CC2)O1)c1ccco1
InChIInChI=1S/C23H26N4O4/c28-22(21-4-2-12-29-21)25-15-18-5-6-23(30-18)7-10-27(11-8-23)16-19-13-20(26-31-19)17-3-1-9-24-14-17/h1-4,9,12-14,18H,5-8,10-11,15-16H2,(H,25,28)
InChIKeyLRXXWHHGABVPCO-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.27
Rot. Bonds6

About N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide

N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide (PubChem CID 171907297) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
PubChem CID171907297
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCC2(CCN(Cc3cc(-c4cccnc4)no3)CC2)O1)c1ccco1
InChIInChI=1S/C23H26N4O4/c28-22(21-4-2-12-29-21)25-15-18-5-6-23(30-18)7-10-27(11-8-23)16-19-13-20(26-31-19)17-3-1-9-24-14-17/h1-4,9,12-14,18H,5-8,10-11,15-16H2,(H,25,28)
InChIKeyLRXXWHHGABVPCO-UHFFFAOYSA-N
XLogP3.27
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide (CID 171907297) is N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide is O=C(NCC1CCC2(CCN(Cc3cc(-c4cccnc4)no3)CC2)O1)c1ccco1.
What is the InChIKey of N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?
The InChIKey is LRXXWHHGABVPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c28-22(21-4-2-12-29-21)25-15-18-5-6-23(30-18)7-10-27(11-8-23)16-19-13-20(26-31-19)17-3-1-9-24-14-17/h1-4,9,12-14,18H,5-8,10-11,15-16H2,(H,25,28).
What are the key properties of N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?
N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 171907297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).