2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole

C19H17N5O2S — CID 68663221

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1cc(C)n2cc(CSc3nnc(-c4ccc5c(c4)CCO5)o3)nc2n1
InChIInChI=1S/C19H17N5O2S/c1-11-7-12(2)24-9-15(21-18(24)20-11)10-27-19-23-22-17(26-19)14-3-4-16-13(8-14)5-6-25-16/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyPGMLKDPXDMFASU-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.62
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole

2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 68663221) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID68663221
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1cc(C)n2cc(CSc3nnc(-c4ccc5c(c4)CCO5)o3)nc2n1
InChIInChI=1S/C19H17N5O2S/c1-11-7-12(2)24-9-15(21-18(24)20-11)10-27-19-23-22-17(26-19)14-3-4-16-13(8-14)5-6-25-16/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyPGMLKDPXDMFASU-UHFFFAOYSA-N
XLogP3.62
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 68663686
2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
CID 68663873
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 75365187
2-(2-chloroethyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
CID 62199935
2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 29065644
7-methyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 7556695
2-(1,3-benzodioxol-5-yl)-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 8743189
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619620
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135473743
2-amino-4-(2,3-dihydro-1-benzofuran-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 23540297
5,7-dimethyl-2-[[4-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 41072546

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 68663221) is 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole is Cc1cc(C)n2cc(CSc3nnc(-c4ccc5c(c4)CCO5)o3)nc2n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is PGMLKDPXDMFASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-11-7-12(2)24-9-15(21-18(24)20-11)10-27-19-23-22-17(26-19)14-3-4-16-13(8-14)5-6-25-16/h3-4,7-9H,5-6,10H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 379.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 68663221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).