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

C14H14N6O2S — CID 7464560

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCc1cc(NC(=O)[C@H](C)Sc2nnnn2-c2ccccc2)no1
InChIInChI=1S/C14H14N6O2S/c1-9-8-12(17-22-9)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,15,17,21)/t10-/m0/s1
InChIKeySQSFPWUBGRUAGJ-JTQLQIEISA-N
MW330.37 g/mol
LogP2.08
Rot. Bonds5

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

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 7464560) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID7464560
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCc1cc(NC(=O)[C@H](C)Sc2nnnn2-c2ccccc2)no1
InChIInChI=1S/C14H14N6O2S/c1-9-8-12(17-22-9)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,15,17,21)/t10-/m0/s1
InChIKeySQSFPWUBGRUAGJ-JTQLQIEISA-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

N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51307121
N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide
CID 42885871
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 50929447
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbutanamide
CID 17410604
N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
CID 23914590
N-(4-phenoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 3574174
(2S)-N-(4-phenoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2586128
(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-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 7464560) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is Cc1cc(NC(=O)[C@H](C)Sc2nnnn2-c2ccccc2)no1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is SQSFPWUBGRUAGJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-9-8-12(17-22-9)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,15,17,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
(2S)-N-(5-methyl-1,2-oxazol-3-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 (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 7464560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).