4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline

C14H18N4O — CID 112558497

IUPAC4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
SMILESCN(C)Cc1noc(C2(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C14H18N4O/c1-18(2)9-12-16-13(19-17-12)14(7-8-14)10-3-5-11(15)6-4-10/h3-6H,7-9,15H2,1-2H3
InChIKeyWKOSPYCDPSJENE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.79
Rot. Bonds4

About 4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline

4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline (PubChem CID 112558497) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
PubChem CID112558497
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
SMILESCN(C)Cc1noc(C2(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C14H18N4O/c1-18(2)9-12-16-13(19-17-12)14(7-8-14)10-3-5-11(15)6-4-10/h3-6H,7-9,15H2,1-2H3
InChIKeyWKOSPYCDPSJENE-UHFFFAOYSA-N
XLogP1.79
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline (CID 112558497) is 4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline is CN(C)Cc1noc(C2(c3ccc(N)cc3)CC2)n1.
What is the InChIKey of 4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline?
The InChIKey is WKOSPYCDPSJENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(2)9-12-16-13(19-17-12)14(7-8-14)10-3-5-11(15)6-4-10/h3-6H,7-9,15H2,1-2H3.
What are the key properties of 4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline?
4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline has a molecular weight of 258.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline is sourced from PubChem (CID 112558497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).