3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one

C18H14N2O3 — CID 2470039

IUPAC3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCc1[nH]c2ccccc2c1C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C18H14N2O3/c1-11-17(12-6-2-3-7-13(12)19-11)15(21)10-20-14-8-4-5-9-16(14)23-18(20)22/h2-9,19H,10H2,1H3
InChIKeyQOWPFMZHCNFRSI-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.27
Rot. Bonds3

About 3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one

3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 2470039) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
PubChem CID2470039
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCc1[nH]c2ccccc2c1C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C18H14N2O3/c1-11-17(12-6-2-3-7-13(12)19-11)15(21)10-20-14-8-4-5-9-16(14)23-18(20)22/h2-9,19H,10H2,1H3
InChIKeyQOWPFMZHCNFRSI-UHFFFAOYSA-N
XLogP3.27
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one (CID 2470039) is 3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one is Cc1[nH]c2ccccc2c1C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
The InChIKey is QOWPFMZHCNFRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11-17(12-6-2-3-7-13(12)19-11)15(21)10-20-14-8-4-5-9-16(14)23-18(20)22/h2-9,19H,10H2,1H3.
What are the key properties of 3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 306.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 2470039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).