3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine

C18H16N6OS — CID 95922170

IUPAC3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
SMILESCc1oc(-c2ccccc2)nc1CSc1nnc(-c2cccnc2)n1N
InChIInChI=1S/C18H16N6OS/c1-12-15(21-17(25-12)13-6-3-2-4-7-13)11-26-18-23-22-16(24(18)19)14-8-5-9-20-10-14/h2-10H,11,19H2,1H3
InChIKeyFJEBZTGBNNZOLH-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.31
Rot. Bonds5

About 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine

3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine (PubChem CID 95922170) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
PubChem CID95922170
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
SMILESCc1oc(-c2ccccc2)nc1CSc1nnc(-c2cccnc2)n1N
InChIInChI=1S/C18H16N6OS/c1-12-15(21-17(25-12)13-6-3-2-4-7-13)11-26-18-23-22-16(24(18)19)14-8-5-9-20-10-14/h2-10H,11,19H2,1H3
InChIKeyFJEBZTGBNNZOLH-UHFFFAOYSA-N
XLogP3.31
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 16588621
4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 16611480
2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 18075844
4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 16588491
3-[(3,4-difluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
CID 95922172
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
3-(3,4-dimethoxyphenyl)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 18268005
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dibenzylacetamide
CID 2462758
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 2390538
3-[(2,5-difluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
CID 95922171
4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 16589280
3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
CID 2768013

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine (CID 95922170) is 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine is Cc1oc(-c2ccccc2)nc1CSc1nnc(-c2cccnc2)n1N.
What is the InChIKey of 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine?
The InChIKey is FJEBZTGBNNZOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-12-15(21-17(25-12)13-6-3-2-4-7-13)11-26-18-23-22-16(24(18)19)14-8-5-9-20-10-14/h2-10H,11,19H2,1H3.
What are the key properties of 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine?
3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine has a molecular weight of 364.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine is sourced from PubChem (CID 95922170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).