5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole

C15H17N5O2S — CID 24580256

IUPAC5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
SMILESCOCCn1c(SCc2cc(C)no2)nnc1-c1ccncc1
InChIInChI=1S/C15H17N5O2S/c1-11-9-13(22-19-11)10-23-15-18-17-14(20(15)7-8-21-2)12-3-5-16-6-4-12/h3-6,9H,7-8,10H2,1-2H3
InChIKeyFOKATPTWSAFFNS-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.58
Rot. Bonds7

About 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole

5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole (PubChem CID 24580256) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
PubChem CID24580256
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
SMILESCOCCn1c(SCc2cc(C)no2)nnc1-c1ccncc1
InChIInChI=1S/C15H17N5O2S/c1-11-9-13(22-19-11)10-23-15-18-17-14(20(15)7-8-21-2)12-3-5-16-6-4-12/h3-6,9H,7-8,10H2,1-2H3
InChIKeyFOKATPTWSAFFNS-UHFFFAOYSA-N
XLogP2.58
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

5-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
CID 43034164
4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 34278743
4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 3757954
3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 23969470
4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 17401757
5-butyl-3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 60564242
4-[4-(2-methoxyethyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 47095776
4-[4-(2-methoxyethyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 33030387
4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 30764305
4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 55317600
5-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
CID 43034058
4-[4-(2-methoxyethyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]pyridine
CID 47095779

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole (CID 24580256) is 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole is COCCn1c(SCc2cc(C)no2)nnc1-c1ccncc1.
What is the InChIKey of 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole?
The InChIKey is FOKATPTWSAFFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-11-9-13(22-19-11)10-23-15-18-17-14(20(15)7-8-21-2)12-3-5-16-6-4-12/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole?
5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole has a molecular weight of 331.40 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 24580256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).