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

C13H16N4O2 — CID 134154194

IUPAC(2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
SMILESCc1ccc(-c2nnc(CNC(=O)[C@@H](C)N)o2)cc1
InChIInChI=1S/C13H16N4O2/c1-8-3-5-10(6-4-8)13-17-16-11(19-13)7-15-12(18)9(2)14/h3-6,9H,7,14H2,1-2H3,(H,15,18)/t9-/m1/s1
InChIKeyMPRBSRIDMUQDOH-SECBINFHSA-N
MW260.30 g/mol
LogP1.01
Rot. Bonds4

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

(2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide (PubChem CID 134154194) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
PubChem CID134154194
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
SMILESCc1ccc(-c2nnc(CNC(=O)[C@@H](C)N)o2)cc1
InChIInChI=1S/C13H16N4O2/c1-8-3-5-10(6-4-8)13-17-16-11(19-13)7-15-12(18)9(2)14/h3-6,9H,7,14H2,1-2H3,(H,15,18)/t9-/m1/s1
InChIKeyMPRBSRIDMUQDOH-SECBINFHSA-N
XLogP1.01
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide (CID 134154194) is (2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide is Cc1ccc(-c2nnc(CNC(=O)[C@@H](C)N)o2)cc1.
What is the InChIKey of (2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The InChIKey is MPRBSRIDMUQDOH-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-3-5-10(6-4-8)13-17-16-11(19-13)7-15-12(18)9(2)14/h3-6,9H,7,14H2,1-2H3,(H,15,18)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
(2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide has a molecular weight of 260.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide is sourced from PubChem (CID 134154194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).