N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

C23H24N4O4 — CID 140881174

IUPACN-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1ccc2oc(N3CC(N4CCOCC4)C3)nc2c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C23H24N4O4/c28-22(16-1-3-20-15(11-16)5-8-30-20)24-17-2-4-21-19(12-17)25-23(31-21)27-13-18(14-27)26-6-9-29-10-7-26/h1-4,11-12,18H,5-10,13-14H2,(H,24,28)
InChIKeyJIOMISBXOKLRDF-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.54
Rot. Bonds4

About N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 140881174) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID140881174
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1ccc2oc(N3CC(N4CCOCC4)C3)nc2c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C23H24N4O4/c28-22(16-1-3-20-15(11-16)5-8-30-20)24-17-2-4-21-19(12-17)25-23(31-21)27-13-18(14-27)26-6-9-29-10-7-26/h1-4,11-12,18H,5-10,13-14H2,(H,24,28)
InChIKeyJIOMISBXOKLRDF-UHFFFAOYSA-N
XLogP2.54
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 140881186
N-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,3-oxazepan-3-yl)-1,3-benzoxazole-5-carboxamide
CID 178171158
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
2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide
CID 135148582
N-[2-(3,3-difluoropiperidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 140881089
N-[2-(4-hydroxypiperidin-1-yl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 140881045
N-[2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 140881179
N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86996534
N-[2-(4,4-difluoropiperidin-1-yl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 140881073
5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole
CID 146044554
1-[4-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoyl]piperidine-4-carboxylic acid
CID 167849672
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 140881174) is N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(Nc1ccc2oc(N3CC(N4CCOCC4)C3)nc2c1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is JIOMISBXOKLRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-22(16-1-3-20-15(11-16)5-8-30-20)24-17-2-4-21-19(12-17)25-23(31-21)27-13-18(14-27)26-6-9-29-10-7-26/h1-4,11-12,18H,5-10,13-14H2,(H,24,28).
What are the key properties of N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 140881174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).