N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide

C24H25N3O4 — CID 140881038

IUPACN-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESO=C(Nc1ccc2oc(N3CCC34CCOCC4)nc2c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C24H25N3O4/c28-22(17-3-5-20-16(14-17)2-1-11-30-20)25-18-4-6-21-19(15-18)26-23(31-21)27-10-7-24(27)8-12-29-13-9-24/h3-6,14-15H,1-2,7-13H2,(H,25,28)
InChIKeyQTDSRDMTMUMTTK-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.16
Rot. Bonds3

About N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide

N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 140881038) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID140881038
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESO=C(Nc1ccc2oc(N3CCC34CCOCC4)nc2c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C24H25N3O4/c28-22(17-3-5-20-16(14-17)2-1-11-30-20)25-18-4-6-21-19(15-18)26-23(31-21)27-10-7-24(27)8-12-29-13-9-24/h3-6,14-15H,1-2,7-13H2,(H,25,28)
InChIKeyQTDSRDMTMUMTTK-UHFFFAOYSA-N
XLogP4.16
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 140881179
N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 140881174
N-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,3-oxazepan-3-yl)-1,3-benzoxazole-5-carboxamide
CID 178171158
N-[2-(3,3-difluoropiperidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 140881089
N-[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 140881142
N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 140881186
N-[2-(4,4-difluoropiperidin-1-yl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 140881073
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170
N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 131919078
N-[2-(4-hydroxypiperidin-1-yl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 140881045
N-[2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2275912

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide (CID 140881038) is N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide is O=C(Nc1ccc2oc(N3CCC34CCOCC4)nc2c1)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is QTDSRDMTMUMTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-22(17-3-5-20-16(14-17)2-1-11-30-20)25-18-4-6-21-19(15-18)26-23(31-21)27-10-7-24(27)8-12-29-13-9-24/h3-6,14-15H,1-2,7-13H2,(H,25,28).
What are the key properties of N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 140881038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).