3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole

C14H13NO3S — CID 142654196

IUPAC3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole
SMILESCC(C)OOc1ccc(-c2noc3ccsc23)cc1
InChIInChI=1S/C14H13NO3S/c1-9(2)17-18-11-5-3-10(4-6-11)13-14-12(16-15-13)7-8-19-14/h3-9H,1-2H3
InChIKeyUYCFCZAYPKAGCV-UHFFFAOYSA-N
MW275.33 g/mol
LogP4.28
Rot. Bonds4

About 3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole

3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole (PubChem CID 142654196) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole.

Molecular Properties

Compound Name3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole
PubChem CID142654196
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole
SMILESCC(C)OOc1ccc(-c2noc3ccsc23)cc1
InChIInChI=1S/C14H13NO3S/c1-9(2)17-18-11-5-3-10(4-6-11)13-14-12(16-15-13)7-8-19-14/h3-9H,1-2H3
InChIKeyUYCFCZAYPKAGCV-UHFFFAOYSA-N
XLogP4.28
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole
CID 14097241
N-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol
CID 142050450
3-thiophen-2-ylthieno[2,3-e]oxazin-4-one
CID 132919308
N-iodo-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 163896523
2-(4-propan-2-yloxyphenyl)thiophene
CID 18387785
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 82472063
5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 52904574
4-(6-methoxy-1,2-benzoxazol-3-yl)aniline
CID 82105934
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole
CID 68883545
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 162801131

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole?
The IUPAC name of 3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole (CID 142654196) is 3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole.
What is the SMILES notation for 3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole?
The canonical SMILES for 3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole is CC(C)OOc1ccc(-c2noc3ccsc23)cc1.
What is the InChIKey of 3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole?
The InChIKey is UYCFCZAYPKAGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-9(2)17-18-11-5-3-10(4-6-11)13-14-12(16-15-13)7-8-19-14/h3-9H,1-2H3.
What are the key properties of 3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole?
3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole has a molecular weight of 275.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole is sourced from PubChem (CID 142654196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).