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

C13H16N4O3 — CID 134152269

IUPAC(2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
SMILESCOc1ccc(-c2nnc(CNC(=O)[C@@H](C)N)o2)cc1
InChIInChI=1S/C13H16N4O3/c1-8(14)12(18)15-7-11-16-17-13(20-11)9-3-5-10(19-2)6-4-9/h3-6,8H,7,14H2,1-2H3,(H,15,18)/t8-/m1/s1
InChIKeyMGQXCWPDPCCUML-MRVPVSSYSA-N
MW276.30 g/mol
LogP0.71
Rot. Bonds5

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

(2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide (PubChem CID 134152269) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is (2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
PubChem CID134152269
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name(2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
SMILESCOc1ccc(-c2nnc(CNC(=O)[C@@H](C)N)o2)cc1
InChIInChI=1S/C13H16N4O3/c1-8(14)12(18)15-7-11-16-17-13(20-11)9-3-5-10(19-2)6-4-9/h3-6,8H,7,14H2,1-2H3,(H,15,18)/t8-/m1/s1
InChIKeyMGQXCWPDPCCUML-MRVPVSSYSA-N
XLogP0.71
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide (CID 134152269) is (2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide is COc1ccc(-c2nnc(CNC(=O)[C@@H](C)N)o2)cc1.
What is the InChIKey of (2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The InChIKey is MGQXCWPDPCCUML-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8(14)12(18)15-7-11-16-17-13(20-11)9-3-5-10(19-2)6-4-9/h3-6,8H,7,14H2,1-2H3,(H,15,18)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
(2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide has a molecular weight of 276.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide is sourced from PubChem (CID 134152269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).