N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C14H14N6O2S — CID 51307121

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCc1cc(NC(=O)C(C)Sc2nnnn2-c2ccccc2)on1
InChIInChI=1S/C14H14N6O2S/c1-9-8-12(22-17-9)15-13(21)10(2)23-14-16-18-19-20(14)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,15,21)
InChIKeyGFVFWSJMOOBEFE-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.08
Rot. Bonds5

About N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 51307121) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID51307121
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCc1cc(NC(=O)C(C)Sc2nnnn2-c2ccccc2)on1
InChIInChI=1S/C14H14N6O2S/c1-9-8-12(22-17-9)15-13(21)10(2)23-14-16-18-19-20(14)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,15,21)
InChIKeyGFVFWSJMOOBEFE-UHFFFAOYSA-N
XLogP2.08
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7464560
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
(2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762411
(2S)-N-(4-bromophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762355
N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 46619617
N-(3-methyl-1,2-oxazol-5-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 51307138
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621201
N-(3-methyl-1,2-oxazol-5-yl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 24604189
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 17454322
N-(4-phenoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 3574174
(2S)-N-(4-phenoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2586128

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 51307121) is N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is Cc1cc(NC(=O)C(C)Sc2nnnn2-c2ccccc2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is GFVFWSJMOOBEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-9-8-12(22-17-9)15-13(21)10(2)23-14-16-18-19-20(14)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,15,21).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 330.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 51307121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).