4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole

C15H15NOS — CID 167157982

IUPAC4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole
SMILESCC(C)(Cc1cccc2oncc12)c1cccs1
InChIInChI=1S/C15H15NOS/c1-15(2,14-7-4-8-18-14)9-11-5-3-6-13-12(11)10-16-17-13/h3-8,10H,9H2,1-2H3
InChIKeyYFCVODREKPJIOI-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.41
Rot. Bonds3

About 4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole

4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole (PubChem CID 167157982) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole.

Molecular Properties

Compound Name4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole
PubChem CID167157982
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole
SMILESCC(C)(Cc1cccc2oncc12)c1cccs1
InChIInChI=1S/C15H15NOS/c1-15(2,14-7-4-8-18-14)9-11-5-3-6-13-12(11)10-16-17-13/h3-8,10H,9H2,1-2H3
InChIKeyYFCVODREKPJIOI-UHFFFAOYSA-N
XLogP4.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-Fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine
CID 18696153
5-Fluoro-3-[(5-methylthiophen-2-yl)methyl]-1,2-benzoxazole
CID 23543534
2-[[4-(Fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine
CID 150269948
4-Methyl-1,2-benzisoxazole
CID 583714
3-(2-Thiophen-2-yl-1,3-dithian-2-yl)-1,2-benzoxazole
CID 12706396
1,2-Benzoxazol-3-yl(thiophen-2-yl)methanone
CID 12706407
3-Methyl-4-methylsulfanyl-6-thiophen-2-yl-1,2-benzoxazole
CID 13999372
4-(1-Fluoroethyl)-1,2-benzoxazole
CID 84652030
4,5-Dihydro-[1]benzothiolo[3,2-g][1,2]benzoxazole
CID 298603
3-Thiophen-2-yl-1,2-benzoxazole
CID 13404236
4,5-Dihydrothieno[2,3-g][1,2]benzoxazole
CID 13452855
1-[4-(1,2-Benzoxazol-3-yl)thiophen-3-yl]but-3-en-1-amine
CID 18357505

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole?
The IUPAC name of 4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole (CID 167157982) is 4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole.
What is the SMILES notation for 4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole?
The canonical SMILES for 4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole is CC(C)(Cc1cccc2oncc12)c1cccs1.
What is the InChIKey of 4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole?
The InChIKey is YFCVODREKPJIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-15(2,14-7-4-8-18-14)9-11-5-3-6-13-12(11)10-16-17-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole?
4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole has a molecular weight of 257.36 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2-thiophen-2-ylpropyl)-1,2-benzoxazole is sourced from PubChem (CID 167157982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).