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

C16H15N3O2 — CID 104788863

IUPAC4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
SMILESCc1occc1-c1noc(C2(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C16H15N3O2/c1-10-13(6-9-20-10)14-18-15(21-19-14)16(7-8-16)11-2-4-12(17)5-3-11/h2-6,9H,7-8,17H2,1H3
InChIKeyROFGNQFDNWGLIA-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.30
Rot. Bonds3

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

4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline (PubChem CID 104788863) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
PubChem CID104788863
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
SMILESCc1occc1-c1noc(C2(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C16H15N3O2/c1-10-13(6-9-20-10)14-18-15(21-19-14)16(7-8-16)11-2-4-12(17)5-3-11/h2-6,9H,7-8,17H2,1H3
InChIKeyROFGNQFDNWGLIA-UHFFFAOYSA-N
XLogP3.30
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 104788996
3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 113453228
4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
CID 115914049
4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline
CID 112558486
5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 104788843
4-[1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
CID 112558497
4-[1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
CID 115914045
4-bromo-3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104788922
4-[1-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
CID 115914033
4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104788807
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788812
5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 70751237

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline (CID 104788863) is 4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline is Cc1occc1-c1noc(C2(c3ccc(N)cc3)CC2)n1.
What is the InChIKey of 4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline?
The InChIKey is ROFGNQFDNWGLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-13(6-9-20-10)14-18-15(21-19-14)16(7-8-16)11-2-4-12(17)5-3-11/h2-6,9H,7-8,17H2,1H3.
What are the key properties of 4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline?
4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline has a molecular weight of 281.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline is sourced from PubChem (CID 104788863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).