N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

C18H22N6O2S — CID 7627210

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1
InChIInChI=1S/C18H22N6O2S/c1-11-6-7-13(12(2)8-11)24-17(20-22-23-24)27-10-15(25)19-16-9-14(21-26-16)18(3,4)5/h6-9H,10H2,1-5H3,(H,19,25)
InChIKeyYRPJTQBAFDWRCU-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.30
Rot. Bonds5

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7627210) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7627210
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1
InChIInChI=1S/C18H22N6O2S/c1-11-6-7-13(12(2)8-11)24-17(20-22-23-24)27-10-15(25)19-16-9-14(21-26-16)18(3,4)5/h6-9H,10H2,1-5H3,(H,19,25)
InChIKeyYRPJTQBAFDWRCU-UHFFFAOYSA-N
XLogP3.30
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 17437229
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 16509696
4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 3626261
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 26389065
N-(4-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4803407
4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 8691758
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3504562
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3583304
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 27548922
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 16509717
2-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylacetamide
CID 8691768
3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 8691769

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 7627210) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is YRPJTQBAFDWRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-11-6-7-13(12(2)8-11)24-17(20-22-23-24)27-10-15(25)19-16-9-14(21-26-16)18(3,4)5/h6-9H,10H2,1-5H3,(H,19,25).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 386.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7627210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).