N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide

C13H15N5O4 — CID 133305971

IUPACN-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1nc(C)no1
InChIInChI=1S/C13H15N5O4/c1-8-16-12(22-17-8)5-6-15-11-4-3-9(18(20)21)7-10(11)13(19)14-2/h3-4,7,15H,5-6H2,1-2H3,(H,14,19)
InChIKeyXPWLZIJQCDWKAA-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.30
Rot. Bonds6

About N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide

N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide (PubChem CID 133305971) has the molecular formula C13H15N5O4 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide.

Molecular Properties

Compound NameN-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide
PubChem CID133305971
Molecular FormulaC13H15N5O4
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC NameN-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1nc(C)no1
InChIInChI=1S/C13H15N5O4/c1-8-16-12(22-17-8)5-6-15-11-4-3-9(18(20)21)7-10(11)13(19)14-2/h3-4,7,15H,5-6H2,1-2H3,(H,14,19)
InChIKeyXPWLZIJQCDWKAA-UHFFFAOYSA-N
XLogP1.30
TPSA123.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.30
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

4-[2-(methylcarbamoyl)-4-nitroanilino]butanoic acid
CID 122058634
N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide
CID 87020903
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-nitro-1,3-benzoxazol-2-amine
CID 106418783
2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide
CID 56801772
N-[(2-bromo-4-nitrophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106417109
2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-nitroaniline
CID 104917386
2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide
CID 86839616
2-(difluoromethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitroaniline
CID 63750445
5-nitro-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
CID 133295642
2-(methylcarbamoyl)-4-nitrophenolate
CID 7072316
5-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
CID 114186246
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide
CID 86829368

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide?
The IUPAC name of N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide (CID 133305971) is N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide.
What is the SMILES notation for N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide?
The canonical SMILES for N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide is CNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1nc(C)no1.
What is the InChIKey of N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide?
The InChIKey is XPWLZIJQCDWKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4/c1-8-16-12(22-17-8)5-6-15-11-4-3-9(18(20)21)7-10(11)13(19)14-2/h3-4,7,15H,5-6H2,1-2H3,(H,14,19).
What are the key properties of N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide?
N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide has a molecular weight of 305.29 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide is sourced from PubChem (CID 133305971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).