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

C17H14N4O5 — CID 42903748

IUPACN-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESCC(Oc1ccc(-c2nnco2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H14N4O5/c1-11(16(22)19-13-3-2-4-14(9-13)21(23)24)26-15-7-5-12(6-8-15)17-20-18-10-25-17/h2-11H,1H3,(H,19,22)
InChIKeyYLRBUCVQKGGDPX-UHFFFAOYSA-N
MW354.32 g/mol
LogP3.05
Rot. Bonds6

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

N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide (PubChem CID 42903748) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
PubChem CID42903748
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC NameN-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESCC(Oc1ccc(-c2nnco2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H14N4O5/c1-11(16(22)19-13-3-2-4-14(9-13)21(23)24)26-15-7-5-12(6-8-15)17-20-18-10-25-17/h2-11H,1H3,(H,19,22)
InChIKeyYLRBUCVQKGGDPX-UHFFFAOYSA-N
XLogP3.05
TPSA120.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
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

(2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528122
(2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7556052
2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 13052549
N-(4-chlorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 78502401
(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8851790
(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908176
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
CID 17189238
(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632124
4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide
CID 7865285
(2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 40693368
N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 17409257

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The IUPAC name of N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide (CID 42903748) is N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The canonical SMILES for N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide is CC(Oc1ccc(-c2nnco2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The InChIKey is YLRBUCVQKGGDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5/c1-11(16(22)19-13-3-2-4-14(9-13)21(23)24)26-15-7-5-12(6-8-15)17-20-18-10-25-17/h2-11H,1H3,(H,19,22).
What are the key properties of N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide has a molecular weight of 354.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide is sourced from PubChem (CID 42903748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).