5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one

C18H14N2O3 — CID 168858157

IUPAC5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one
SMILESCOc1ccccc1-c1nnc(-c2ccc3c(c2)CC(=O)C3)o1
InChIInChI=1S/C18H14N2O3/c1-22-16-5-3-2-4-15(16)18-20-19-17(23-18)12-7-6-11-9-14(21)10-13(11)8-12/h2-8H,9-10H2,1H3
InChIKeyAVXJWBHSTTXFEW-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.08
Rot. Bonds3

About 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one

5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one (PubChem CID 168858157) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one
PubChem CID168858157
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one
SMILESCOc1ccccc1-c1nnc(-c2ccc3c(c2)CC(=O)C3)o1
InChIInChI=1S/C18H14N2O3/c1-22-16-5-3-2-4-15(16)18-20-19-17(23-18)12-7-6-11-9-14(21)10-13(11)8-12/h2-8H,9-10H2,1H3
InChIKeyAVXJWBHSTTXFEW-UHFFFAOYSA-N
XLogP3.08
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 137228616
5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one
CID 137361929
3-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-8-methoxychromen-2-one
CID 21239652
3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484094
3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3620914
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 19554513
N-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 10595444
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxychromen-2-one
CID 1119347
2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 22308656
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 3359112

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one?
The IUPAC name of 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one (CID 168858157) is 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one.
What is the SMILES notation for 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one?
The canonical SMILES for 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one is COc1ccccc1-c1nnc(-c2ccc3c(c2)CC(=O)C3)o1.
What is the InChIKey of 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one?
The InChIKey is AVXJWBHSTTXFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-22-16-5-3-2-4-15(16)18-20-19-17(23-18)12-7-6-11-9-14(21)10-13(11)8-12/h2-8H,9-10H2,1H3.
What are the key properties of 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one?
5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one has a molecular weight of 306.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one is sourced from PubChem (CID 168858157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).