N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide

C15H16N6O2S — CID 42885871

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCc1cc(NC(=O)C(C)SCc2nnnn2-c2ccccc2)no1
InChIInChI=1S/C15H16N6O2S/c1-10-8-13(18-23-10)16-15(22)11(2)24-9-14-17-19-20-21(14)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,16,18,22)
InChIKeyZGHOBCCQQLPQPO-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.22
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide (PubChem CID 42885871) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide
PubChem CID42885871
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCc1cc(NC(=O)C(C)SCc2nnnn2-c2ccccc2)no1
InChIInChI=1S/C15H16N6O2S/c1-10-8-13(18-23-10)16-15(22)11(2)24-9-14-17-19-20-21(14)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,16,18,22)
InChIKeyZGHOBCCQQLPQPO-UHFFFAOYSA-N
XLogP2.22
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.22
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
(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9459484
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-prop-2-enylpropanamide
CID 42892245
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 95573536
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-[2-oxo-2-(2-phenylhydrazinyl)ethyl]sulfanylpropanamide
CID 78774726
N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
CID 23914590
(2S)-2-[(3-chlorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94199759
N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51307121
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55470219
phenacyl 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7953628
2-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119529575

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide (CID 42885871) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide is Cc1cc(NC(=O)C(C)SCc2nnnn2-c2ccccc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide?
The InChIKey is ZGHOBCCQQLPQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-10-8-13(18-23-10)16-15(22)11(2)24-9-14-17-19-20-21(14)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,16,18,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide has a molecular weight of 344.40 g/mol, XLogP of 2.22, 6 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-phenyltetrazol-5-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 42885871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).