(2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide

C15H17N7O2 — CID 96560493

IUPAC(2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCc1noc([C@@H](C)NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)n1
InChIInChI=1S/C15H17N7O2/c1-9(15-17-11(3)20-24-15)16-14(23)10(2)22-19-13(18-21-22)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,16,23)/t9-,10-/m1/s1
InChIKeyZTONFOZQTKQOSS-NXEZZACHSA-N
MW327.35 g/mol
LogP1.47
Rot. Bonds5

About (2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide

(2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide (PubChem CID 96560493) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide
PubChem CID96560493
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name(2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCc1noc([C@@H](C)NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)n1
InChIInChI=1S/C15H17N7O2/c1-9(15-17-11(3)20-24-15)16-14(23)10(2)22-19-13(18-21-22)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,16,23)/t9-,10-/m1/s1
InChIKeyZTONFOZQTKQOSS-NXEZZACHSA-N
XLogP1.47
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The IUPAC name of (2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide (CID 96560493) is (2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide is Cc1noc([C@@H](C)NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)n1.
What is the InChIKey of (2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The InChIKey is ZTONFOZQTKQOSS-NXEZZACHSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-9(15-17-11(3)20-24-15)16-14(23)10(2)22-19-13(18-21-22)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,16,23)/t9-,10-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide?
(2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide has a molecular weight of 327.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide is sourced from PubChem (CID 96560493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).