N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C18H15N3O3 — CID 56812846

IUPACN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1nnc(-c2ccccc2NC(=O)C2Cc3ccccc3O2)o1
InChIInChI=1S/C18H15N3O3/c1-11-20-21-18(23-11)13-7-3-4-8-14(13)19-17(22)16-10-12-6-2-5-9-15(12)24-16/h2-9,16H,10H2,1H3,(H,19,22)
InChIKeyPGNLXTLMQJUPMF-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.99
Rot. Bonds3

About N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 56812846) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID56812846
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1nnc(-c2ccccc2NC(=O)C2Cc3ccccc3O2)o1
InChIInChI=1S/C18H15N3O3/c1-11-20-21-18(23-11)13-7-3-4-8-14(13)19-17(22)16-10-12-6-2-5-9-15(12)24-16/h2-9,16H,10H2,1H3,(H,19,22)
InChIKeyPGNLXTLMQJUPMF-UHFFFAOYSA-N
XLogP2.99
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 56812846) is N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1nnc(-c2ccccc2NC(=O)C2Cc3ccccc3O2)o1.
What is the InChIKey of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is PGNLXTLMQJUPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-11-20-21-18(23-11)13-7-3-4-8-14(13)19-17(22)16-10-12-6-2-5-9-15(12)24-16/h2-9,16H,10H2,1H3,(H,19,22).
What are the key properties of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 56812846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).