[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine

C13H14N4O4 — CID 61495791

IUPAC[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine
SMILESNCc1ccc(OCc2nc(C3CC3)no2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H14N4O4/c14-6-8-1-4-11(10(5-8)17(18)19)20-7-12-15-13(16-21-12)9-2-3-9/h1,4-5,9H,2-3,6-7,14H2
InChIKeyZRDLKNMJRKZJGP-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.89
Rot. Bonds6

About [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine

[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine (PubChem CID 61495791) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine
PubChem CID61495791
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine
SMILESNCc1ccc(OCc2nc(C3CC3)no2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H14N4O4/c14-6-8-1-4-11(10(5-8)17(18)19)20-7-12-15-13(16-21-12)9-2-3-9/h1,4-5,9H,2-3,6-7,14H2
InChIKeyZRDLKNMJRKZJGP-UHFFFAOYSA-N
XLogP1.89
TPSA117.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.89
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'}

Analyze [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine 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

[3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 63044787
[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-nitrophenyl]methanamine
CID 61497027
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3-nitrophenyl]methanamine
CID 60880389
3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide
CID 82912816
[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 54959648
(3-nitro-4-phenylmethoxyphenyl)methanamine
CID 43319706
[3-nitro-4-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 61313011
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanamine
CID 82918133
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile
CID 91659594
[3-nitro-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 61487544
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride
CID 82911885
2-[4-(aminomethyl)-2-nitrophenoxy]acetonitrile
CID 60879441

Frequently Asked Questions

What is the IUPAC name of [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine?
The IUPAC name of [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine (CID 61495791) is [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine.
What is the SMILES notation for [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine?
The canonical SMILES for [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine is NCc1ccc(OCc2nc(C3CC3)no2)c([N+](=O)[O-])c1.
What is the InChIKey of [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine?
The InChIKey is ZRDLKNMJRKZJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c14-6-8-1-4-11(10(5-8)17(18)19)20-7-12-15-13(16-21-12)9-2-3-9/h1,4-5,9H,2-3,6-7,14H2.
What are the key properties of [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine?
[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine has a molecular weight of 290.28 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]methanamine is sourced from PubChem (CID 61495791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).