1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one

C20H14N4O2 — CID 143136098

IUPAC1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one
SMILESCc1nc(-c2ccc(-n3c(=O)ccc4[nH]c5ccccc5c43)cc2)no1
InChIInChI=1S/C20H14N4O2/c1-12-21-20(23-26-12)13-6-8-14(9-7-13)24-18(25)11-10-17-19(24)15-4-2-3-5-16(15)22-17/h2-11,22H,1H3
InChIKeyVEKJLAOJVONIIO-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.83
Rot. Bonds2

About 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one

1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one (PubChem CID 143136098) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one.

Molecular Properties

Compound Name1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one
PubChem CID143136098
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one
SMILESCc1nc(-c2ccc(-n3c(=O)ccc4[nH]c5ccccc5c43)cc2)no1
InChIInChI=1S/C20H14N4O2/c1-12-21-20(23-26-12)13-6-8-14(9-7-13)24-18(25)11-10-17-19(24)15-4-2-3-5-16(15)22-17/h2-11,22H,1H3
InChIKeyVEKJLAOJVONIIO-UHFFFAOYSA-N
XLogP3.83
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one?
The IUPAC name of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one (CID 143136098) is 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one.
What is the SMILES notation for 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one?
The canonical SMILES for 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one is Cc1nc(-c2ccc(-n3c(=O)ccc4[nH]c5ccccc5c43)cc2)no1.
What is the InChIKey of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one?
The InChIKey is VEKJLAOJVONIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c1-12-21-20(23-26-12)13-6-8-14(9-7-13)24-18(25)11-10-17-19(24)15-4-2-3-5-16(15)22-17/h2-11,22H,1H3.
What are the key properties of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one?
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one has a molecular weight of 342.36 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one is sourced from PubChem (CID 143136098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).