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

C12H13N5O4 — CID 134156598

IUPAC(2R)-2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C12H13N5O4/c1-7(13)11(18)14-6-10-15-16-12(21-10)8-2-4-9(5-3-8)17(19)20/h2-5,7H,6,13H2,1H3,(H,14,18)/t7-/m1/s1
InChIKeyDCLJJQIPTORYBL-SSDOTTSWSA-N
MW291.27 g/mol
LogP0.61
Rot. Bonds5

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

(2R)-2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide (PubChem CID 134156598) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is (2R)-2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
PubChem CID134156598
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name(2R)-2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C12H13N5O4/c1-7(13)11(18)14-6-10-15-16-12(21-10)8-2-4-9(5-3-8)17(19)20/h2-5,7H,6,13H2,1H3,(H,14,18)/t7-/m1/s1
InChIKeyDCLJJQIPTORYBL-SSDOTTSWSA-N
XLogP0.61
TPSA137.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 3727897
CID 122186828
CID 122186828
CID 24687737
CID 24687737
CID 57403069
CID 57403069
CID 45783989
CID 45783989
CID 2727710
CID 2727710
CID 38030939
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CID 3572349
CID 3572349

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide (CID 134156598) is (2R)-2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide is C[C@@H](N)C(=O)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of (2R)-2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The InChIKey is DCLJJQIPTORYBL-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-7(13)11(18)14-6-10-15-16-12(21-10)8-2-4-9(5-3-8)17(19)20/h2-5,7H,6,13H2,1H3,(H,14,18)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
(2R)-2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide has a molecular weight of 291.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide is sourced from PubChem (CID 134156598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).