N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide

C18H20N6O3S — CID 9454076

IUPACN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-c2cc(NC(=O)CSc3nnnn3C[C@H]3CCCO3)on2)cc1
InChIInChI=1S/C18H20N6O3S/c1-12-4-6-13(7-5-12)15-9-17(27-21-15)19-16(25)11-28-18-20-22-23-24(18)10-14-3-2-8-26-14/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,19,25)/t14-/m1/s1
InChIKeyZSNXCUIKJZHGGQ-CQSZACIVSA-N
MW400.46 g/mol
LogP2.55
Rot. Bonds7

About N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide

N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide (PubChem CID 9454076) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
PubChem CID9454076
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC NameN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-c2cc(NC(=O)CSc3nnnn3C[C@H]3CCCO3)on2)cc1
InChIInChI=1S/C18H20N6O3S/c1-12-4-6-13(7-5-12)15-9-17(27-21-15)19-16(25)11-28-18-20-22-23-24(18)10-14-3-2-8-26-14/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,19,25)/t14-/m1/s1
InChIKeyZSNXCUIKJZHGGQ-CQSZACIVSA-N
XLogP2.55
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]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-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9454071
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 51259109
N-(2,6-dimethylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259079
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9450458
N-(3-fluoro-4-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259136
N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259132
N-[1-(4-fluorophenyl)ethyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259203
N-(methylcarbamoyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9388365
1-(2-methoxy-5-methylphenyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethanone
CID 94797823
2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 24523077
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 129420065
N-butyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51240238

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide (CID 9454076) is N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide is Cc1ccc(-c2cc(NC(=O)CSc3nnnn3C[C@H]3CCCO3)on2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide?
The InChIKey is ZSNXCUIKJZHGGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-12-4-6-13(7-5-12)15-9-17(27-21-15)19-16(25)11-28-18-20-22-23-24(18)10-14-3-2-8-26-14/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,19,25)/t14-/m1/s1.
What are the key properties of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide?
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide has a molecular weight of 400.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 9454076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).