2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol

C14H13NO3S — CID 139663021

IUPAC2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol
SMILESCc1oc(-c2cc3cc(O)ccc3s2)nc1CCO
InChIInChI=1S/C14H13NO3S/c1-8-11(4-5-16)15-14(18-8)13-7-9-6-10(17)2-3-12(9)19-13/h2-3,6-7,16-17H,4-5H2,1H3
InChIKeyRJBSYBFSLYJJNT-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.11
Rot. Bonds3

About 2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol

2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol (PubChem CID 139663021) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol
PubChem CID139663021
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol
SMILESCc1oc(-c2cc3cc(O)ccc3s2)nc1CCO
InChIInChI=1S/C14H13NO3S/c1-8-11(4-5-16)15-14(18-8)13-7-9-6-10(17)2-3-12(9)19-13/h2-3,6-7,16-17H,4-5H2,1H3
InChIKeyRJBSYBFSLYJJNT-UHFFFAOYSA-N
XLogP3.11
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol
CID 82220028
3-[2-[4-[[2-(1-benzothiophen-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]ethoxy]propanoic acid
CID 68882639
2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol
CID 142910946
2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol
CID 58979003
2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole
CID 158204466
2-[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]ethanol
CID 25147932
2-[5-[2-[2-(1-benzothiophen-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid
CID 22610195
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol
CID 104590545
ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate
CID 23074478
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 23352157
2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
CID 60712307
2-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate
CID 86592426

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol?
The IUPAC name of 2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol (CID 139663021) is 2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol?
The canonical SMILES for 2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol is Cc1oc(-c2cc3cc(O)ccc3s2)nc1CCO.
What is the InChIKey of 2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol?
The InChIKey is RJBSYBFSLYJJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-8-11(4-5-16)15-14(18-8)13-7-9-6-10(17)2-3-12(9)19-13/h2-3,6-7,16-17H,4-5H2,1H3.
What are the key properties of 2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol?
2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol has a molecular weight of 275.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol is sourced from PubChem (CID 139663021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).