4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline

C14H15N3O2 — CID 171644841

IUPAC4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline
SMILES[H]/N=C/c1cc(C2CC2)c(OCc2ccon2)cc1N
InChIInChI=1S/C14H15N3O2/c15-7-10-5-12(9-1-2-9)14(6-13(10)16)18-8-11-3-4-19-17-11/h3-7,9,15H,1-2,8,16H2/b15-7+
InChIKeyORKXSHFXEQJOLR-VIZOYTHASA-N
MW257.29 g/mol
LogP2.71
Rot. Bonds5

About 4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline

4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline (PubChem CID 171644841) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline.

Molecular Properties

Compound Name4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline
PubChem CID171644841
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline
SMILES[H]/N=C/c1cc(C2CC2)c(OCc2ccon2)cc1N
InChIInChI=1S/C14H15N3O2/c15-7-10-5-12(9-1-2-9)14(6-13(10)16)18-8-11-3-4-19-17-11/h3-7,9,15H,1-2,8,16H2/b15-7+
InChIKeyORKXSHFXEQJOLR-VIZOYTHASA-N
XLogP2.71
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline
CID 171644772
2-methanimidoyl-5-(oxan-4-yloxy)benzene-1,4-diamine
CID 144847529
[3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine
CID 117052559
3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid
CID 117053432
[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine
CID 129199484
N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79889646
4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine
CID 88581989
2-methanimidoyl-5-pyrrolidin-1-ylbenzene-1,4-diamine
CID 123347129
4-(aminomethyl)-2-methanimidoylaniline;ethane
CID 143089869
3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile
CID 117052908
2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine
CID 81170745
(6-cyclopropyl-5-methyl-3-pyridinyl)methanimine
CID 126692386

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline?
The IUPAC name of 4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline (CID 171644841) is 4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline.
What is the SMILES notation for 4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline?
The canonical SMILES for 4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline is [H]/N=C/c1cc(C2CC2)c(OCc2ccon2)cc1N.
What is the InChIKey of 4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline?
The InChIKey is ORKXSHFXEQJOLR-VIZOYTHASA-N. The full InChI is InChI=1S/C14H15N3O2/c15-7-10-5-12(9-1-2-9)14(6-13(10)16)18-8-11-3-4-19-17-11/h3-7,9,15H,1-2,8,16H2/b15-7+.
What are the key properties of 4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline?
4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline has a molecular weight of 257.29 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline is sourced from PubChem (CID 171644841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).