2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole

C17H12N2O2S — CID 71499971

IUPAC2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccccc1-c1cnc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C17H12N2O2S/c1-20-13-8-4-2-6-11(13)14-10-18-16(21-14)17-19-12-7-3-5-9-15(12)22-17/h2-10H,1H3
InChIKeyDJMQGFRKLSPXTR-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.63
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole

2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole (PubChem CID 71499971) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole
PubChem CID71499971
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccccc1-c1cnc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C17H12N2O2S/c1-20-13-8-4-2-6-11(13)14-10-18-16(21-14)17-19-12-7-3-5-9-15(12)22-17/h2-10H,1H3
InChIKeyDJMQGFRKLSPXTR-UHFFFAOYSA-N
XLogP4.63
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Methoxy-4-oxazol-5-yl-phenyl)-(2-phenyl-thiazol-5-yl)-amine
CID 22459693
2-(N-(benzo[d]thiazol-2-ylmethyl)-2-(3-methoxyphenyl)-4-methyloxazole-5-carboxamido)acetic acid
CID 24762414
[4-(1,3-Benzothiazol-2-ylmethyl)piperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 9208256
2-(2-fluorobenzyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 24790230
3-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylprop-2-enamide
CID 72060238
2-(1,3-Benzothiazol-6-yl)-1,3-benzoxazole
CID 21959451
2-(4-methoxybenzyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24816935
N-(2,4-diphenyl-1,3-oxazol-5-yl)-1,3-benzothiazole-2-carboxamide
CID 16116201
2-(2-Ethoxyphenyl)-5-methyl-4-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl}-1,3-oxazole
CID 16191914
2-[[2-(1,3-Benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 16293657
5-(4-fluorophenyl)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)oxazole-2-carboxamide
CID 16950336
2-[(2-Phenyl-1,3-oxazol-5-yl)methylthio]benzothiazole
CID 683050

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole (CID 71499971) is 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole is COc1ccccc1-c1cnc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole?
The InChIKey is DJMQGFRKLSPXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c1-20-13-8-4-2-6-11(13)14-10-18-16(21-14)17-19-12-7-3-5-9-15(12)22-17/h2-10H,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole?
2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole has a molecular weight of 308.36 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 71499971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).