N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C18H23N3O3 — CID 119069461

IUPACN,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1Cc2cc(C(=O)N(C)CCc3noc(C(C)C)n3)ccc2O1
InChIInChI=1S/C18H23N3O3/c1-11(2)17-19-16(20-24-17)7-8-21(4)18(22)13-5-6-15-14(10-13)9-12(3)23-15/h5-6,10-12H,7-9H2,1-4H3
InChIKeySXXBGRWGLKQSMH-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.83
Rot. Bonds5

About N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 119069461) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID119069461
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1Cc2cc(C(=O)N(C)CCc3noc(C(C)C)n3)ccc2O1
InChIInChI=1S/C18H23N3O3/c1-11(2)17-19-16(20-24-17)7-8-21(4)18(22)13-5-6-15-14(10-13)9-12(3)23-15/h5-6,10-12H,7-9H2,1-4H3
InChIKeySXXBGRWGLKQSMH-UHFFFAOYSA-N
XLogP2.83
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 119069461) is N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is CC1Cc2cc(C(=O)N(C)CCc3noc(C(C)C)n3)ccc2O1.
What is the InChIKey of N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is SXXBGRWGLKQSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11(2)17-19-16(20-24-17)7-8-21(4)18(22)13-5-6-15-14(10-13)9-12(3)23-15/h5-6,10-12H,7-9H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 119069461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).