N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide

C17H14N6O2S — CID 6491291

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nnnn2-c2ccc3ccccc3c2)no1
InChIInChI=1S/C17H14N6O2S/c1-11-8-15(20-25-11)18-16(24)10-26-17-19-21-22-23(17)14-7-6-12-4-2-3-5-13(12)9-14/h2-9H,10H2,1H3,(H,18,20,24)
InChIKeyWLMHEYXOZXAIFY-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.84
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 6491291) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID6491291
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nnnn2-c2ccc3ccccc3c2)no1
InChIInChI=1S/C17H14N6O2S/c1-11-8-15(20-25-11)18-16(24)10-26-17-19-21-22-23(17)14-7-6-12-4-2-3-5-13(12)9-14/h2-9H,10H2,1H3,(H,18,20,24)
InChIKeyWLMHEYXOZXAIFY-UHFFFAOYSA-N
XLogP2.84
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4011653
3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46677060
N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide
CID 16649457
2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide
CID 4898766
N-(4,6-dimethylpyrimidin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 888613
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7464560
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1175593
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7907270
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 50929447
2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide
CID 1175668
2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2510287

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide (CID 6491291) is N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide is Cc1cc(NC(=O)CSc2nnnn2-c2ccc3ccccc3c2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is WLMHEYXOZXAIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-11-8-15(20-25-11)18-16(24)10-26-17-19-21-22-23(17)14-7-6-12-4-2-3-5-13(12)9-14/h2-9H,10H2,1H3,(H,18,20,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 366.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 6491291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).