1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol

C10H10ClNO2S — CID 115086475

IUPAC1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C10H10ClNO2S/c1-6(13)4-7-5-12-10(14-7)8-2-3-9(11)15-8/h2-3,5-6,13H,4H2,1H3
InChIKeySWAKJFAEQBFTQK-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.98
Rot. Bonds3

About 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol

1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol (PubChem CID 115086475) has the molecular formula C10H10ClNO2S and a molecular weight of 243.72 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol
PubChem CID115086475
Molecular FormulaC10H10ClNO2S
Molecular Weight243.72 g/mol
Exact Mass243.01
IUPAC Name1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C10H10ClNO2S/c1-6(13)4-7-5-12-10(14-7)8-2-3-9(11)15-8/h2-3,5-6,13H,4H2,1H3
InChIKeySWAKJFAEQBFTQK-UHFFFAOYSA-N
XLogP2.98
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-chlorofuran-2-yl)-1,3-oxazol-5-yl]propan-2-ol
CID 115086467
5-chloro-2-(5-chlorothiophen-2-yl)-1,3-oxazole
CID 117258864
1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115086566
1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol
CID 115086793
1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
CID 115083522
N-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62278238
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 115089104
2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole
CID 59009299
2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115083581
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62652298
3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62278623
2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62607085

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol (CID 115086475) is 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol is CC(O)Cc1cnc(-c2ccc(Cl)s2)o1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol?
The InChIKey is SWAKJFAEQBFTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c1-6(13)4-7-5-12-10(14-7)8-2-3-9(11)15-8/h2-3,5-6,13H,4H2,1H3.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol?
1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol has a molecular weight of 243.72 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 115086475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).