3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol

C13H12N2O2S — CID 116889155

IUPAC3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol
SMILESOCCCc1csc(-c2ccc3ncoc3c2)n1
InChIInChI=1S/C13H12N2O2S/c16-5-1-2-10-7-18-13(15-10)9-3-4-11-12(6-9)17-8-14-11/h3-4,6-8,16H,1-2,5H2
InChIKeySITMEYAYKNUFCM-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.88
Rot. Bonds4

About 3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol

3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol (PubChem CID 116889155) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol
PubChem CID116889155
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol
SMILESOCCCc1csc(-c2ccc3ncoc3c2)n1
InChIInChI=1S/C13H12N2O2S/c16-5-1-2-10-7-18-13(15-10)9-3-4-11-12(6-9)17-8-14-11/h3-4,6-8,16H,1-2,5H2
InChIKeySITMEYAYKNUFCM-UHFFFAOYSA-N
XLogP2.88
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889140
3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 82124643
3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 94275533
6-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methyl-1,3-benzoxazole
CID 116888966
4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889589
3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889146
6-[5-(chloromethyl)-4-methyl-1,3-thiazol-2-yl]-1,3-benzoxazole
CID 116885354
6-phenyl-1,3-benzoxazole
CID 19026755
4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
CID 116966108
1-[2-(1,3-benzoxazol-6-yl)-5-bromo-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116868337
[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 10828361
2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine
CID 82385621

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol?
The IUPAC name of 3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol (CID 116889155) is 3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol is OCCCc1csc(-c2ccc3ncoc3c2)n1.
What is the InChIKey of 3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol?
The InChIKey is SITMEYAYKNUFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-5-1-2-10-7-18-13(15-10)9-3-4-11-12(6-9)17-8-14-11/h3-4,6-8,16H,1-2,5H2.
What are the key properties of 3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol?
3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol has a molecular weight of 260.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol is sourced from PubChem (CID 116889155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).