N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine

C16H20N4O3 — CID 75386873

IUPACN-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
SMILESCC(C)c1nc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)no1
InChIInChI=1S/C16H20N4O3/c1-11(2)16-17-15(18-23-16)10-19(13-7-8-13)9-12-5-3-4-6-14(12)20(21)22/h3-6,11,13H,7-10H2,1-2H3
InChIKeyKIZZOOHDUJFHLQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.27
Rot. Bonds7

About N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine

N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine (PubChem CID 75386873) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
PubChem CID75386873
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
SMILESCC(C)c1nc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)no1
InChIInChI=1S/C16H20N4O3/c1-11(2)16-17-15(18-23-16)10-19(13-7-8-13)9-12-5-3-4-6-14(12)20(21)22/h3-6,11,13H,7-10H2,1-2H3
InChIKeyKIZZOOHDUJFHLQ-UHFFFAOYSA-N
XLogP3.27
TPSA85.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 47070103
2-[cyclopropyl-[(2-nitrophenyl)methyl]amino]propanoic acid
CID 119994912
N-[(2-nitrophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79700162
N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 79713790
N-[(2-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 114048651
N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 133397265
N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650499
N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 133397167
2-[piperidin-4-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide
CID 61497293
2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 82471879
N-methyl-N-[(2-nitrophenyl)methyl]-1-oxothian-4-amine
CID 75408181
2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
CID 55147193

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine (CID 75386873) is N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine is CC(C)c1nc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)no1.
What is the InChIKey of N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine?
The InChIKey is KIZZOOHDUJFHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11(2)16-17-15(18-23-16)10-19(13-7-8-13)9-12-5-3-4-6-14(12)20(21)22/h3-6,11,13H,7-10H2,1-2H3.
What are the key properties of N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine?
N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine has a molecular weight of 316.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 75386873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).