(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

C18H14N4O3S — CID 18202611

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
SMILESCc1noc(C)c1COC(=O)c1nccnc1-c1nc2ccccc2s1
InChIInChI=1S/C18H14N4O3S/c1-10-12(11(2)25-22-10)9-24-18(23)16-15(19-7-8-20-16)17-21-13-5-3-4-6-14(13)26-17/h3-8H,9H2,1-2H3
InChIKeyIFJOZQFAKTZARD-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.72
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate (PubChem CID 18202611) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
PubChem CID18202611
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
SMILESCc1noc(C)c1COC(=O)c1nccnc1-c1nc2ccccc2s1
InChIInChI=1S/C18H14N4O3S/c1-10-12(11(2)25-22-10)9-24-18(23)16-15(19-7-8-20-16)17-21-13-5-3-4-6-14(13)26-17/h3-8H,9H2,1-2H3
InChIKeyIFJOZQFAKTZARD-UHFFFAOYSA-N
XLogP3.72
TPSA91.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate with MolForge

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Related Compounds

3-(1,3-Benzothiazol-2-yl)propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
CID 2124528
(5-Methyl-1,2-oxazol-3-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 24480435
5-[5-[3-(1,3-Benzothiazol-2-yl)-3-fluorocyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-olate
CID 153428147
1,3-Benzothiazol-2-ylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681383
1,3-Benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660638
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 7905074
1,3-Benzothiazol-2-ylmethyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 8632648
1,3-Benzothiazol-2-ylmethyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 8836304
2-Methylprop-2-enyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 17509242
(3,3-Dimethyl-2-oxobutyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 17510381
Propyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 17512805
2-Methylpropyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 17514016

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate (CID 18202611) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate is Cc1noc(C)c1COC(=O)c1nccnc1-c1nc2ccccc2s1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate?
The InChIKey is IFJOZQFAKTZARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-10-12(11(2)25-22-10)9-24-18(23)16-15(19-7-8-20-16)17-21-13-5-3-4-6-14(13)26-17/h3-8H,9H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 18202611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).