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

C18H16N4O6 — CID 8528122

IUPAC(2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C18H16N4O6/c1-11(28-14-6-3-12(4-7-14)18-21-19-10-27-18)17(23)20-15-9-13(22(24)25)5-8-16(15)26-2/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyNDBOSMPIUMMBTG-LLVKDONJSA-N
MW384.35 g/mol
LogP3.06
Rot. Bonds7

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

(2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide (PubChem CID 8528122) has the molecular formula C18H16N4O6 and a molecular weight of 384.35 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
PubChem CID8528122
Molecular FormulaC18H16N4O6
Molecular Weight384.35 g/mol
Exact Mass384.11
IUPAC Name(2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C18H16N4O6/c1-11(28-14-6-3-12(4-7-14)18-21-19-10-27-18)17(23)20-15-9-13(22(24)25)5-8-16(15)26-2/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyNDBOSMPIUMMBTG-LLVKDONJSA-N
XLogP3.06
TPSA129.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 42903748
(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7763707
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632230
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 2407615
butyl 4-[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7984416
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564232
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564228
N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide
CID 60638823
(2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7762594

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The IUPAC name of (2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide (CID 8528122) is (2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(-c2nnco2)cc1.
What is the InChIKey of (2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The InChIKey is NDBOSMPIUMMBTG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16N4O6/c1-11(28-14-6-3-12(4-7-14)18-21-19-10-27-18)17(23)20-15-9-13(22(24)25)5-8-16(15)26-2/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
(2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide has a molecular weight of 384.35 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide is sourced from PubChem (CID 8528122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).