2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole

C15H16N2OS — CID 174355378

IUPAC2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole
SMILESCCCCCc1csc(-c2nc3ccccc3o2)n1
InChIInChI=1S/C15H16N2OS/c1-2-3-4-7-11-10-19-15(16-11)14-17-12-8-5-6-9-13(12)18-14/h5-6,8-10H,2-4,7H2,1H3
InChIKeyFARKFJJQCIUUFJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.68
Rot. Bonds5

About 2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole

2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole (PubChem CID 174355378) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole
PubChem CID174355378
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole
SMILESCCCCCc1csc(-c2nc3ccccc3o2)n1
InChIInChI=1S/C15H16N2OS/c1-2-3-4-7-11-10-19-15(16-11)14-17-12-8-5-6-9-13(12)18-14/h5-6,8-10H,2-4,7H2,1H3
InChIKeyFARKFJJQCIUUFJ-UHFFFAOYSA-N
XLogP4.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,3-benzoxazole
CID 174543974
4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675
2-pentyl-1,3-benzoxazole
CID 23425
[4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine
CID 102625963
3-hexyl-1,4-benzoxazin-2-one
CID 102299494
5-(1,3-benzoxazol-2-yl)-2-butylaniline
CID 159857474
[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66380723
2-pentoxy-1,3-benzoxazole
CID 175319075
2-bromo-4-hexyl-1,3-thiazole
CID 68801320
2-ethyl-4-pentyl-1,3-thiazole
CID 130290438
2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66372909
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 16539589

Frequently Asked Questions

What is the IUPAC name of 2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole (CID 174355378) is 2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole is CCCCCc1csc(-c2nc3ccccc3o2)n1.
What is the InChIKey of 2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole?
The InChIKey is FARKFJJQCIUUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-3-4-7-11-10-19-15(16-11)14-17-12-8-5-6-9-13(12)18-14/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole?
2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole has a molecular weight of 272.37 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentyl-1,3-thiazol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 174355378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).