[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine

C11H13N3O2 — CID 120841493

IUPAC[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
SMILESNCc1cc(-c2nc(CC3CC3)no2)co1
InChIInChI=1S/C11H13N3O2/c12-5-9-4-8(6-15-9)11-13-10(14-16-11)3-7-1-2-7/h4,6-7H,1-3,5,12H2
InChIKeyOECMSYGIDYBISQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.74
Rot. Bonds4

About [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine

[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine (PubChem CID 120841493) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
PubChem CID120841493
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
SMILESNCc1cc(-c2nc(CC3CC3)no2)co1
InChIInChI=1S/C11H13N3O2/c12-5-9-4-8(6-15-9)11-13-10(14-16-11)3-7-1-2-7/h4,6-7H,1-3,5,12H2
InChIKeyOECMSYGIDYBISQ-UHFFFAOYSA-N
XLogP1.74
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine with MolForge

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Related Compounds

[4-(cyclopropylmethyl)furan-2-yl]methanamine
CID 96635997
5-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-2-iodoaniline
CID 112754175
[4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride
CID 120838927
[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 119948450
3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103985715
[4-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 120840636
2-chloro-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103985661
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 139022623
3-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928462
2-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43103130
2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136670697

Frequently Asked Questions

What is the IUPAC name of [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
The IUPAC name of [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine (CID 120841493) is [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine.
What is the SMILES notation for [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
The canonical SMILES for [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine is NCc1cc(-c2nc(CC3CC3)no2)co1.
What is the InChIKey of [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
The InChIKey is OECMSYGIDYBISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-5-9-4-8(6-15-9)11-13-10(14-16-11)3-7-1-2-7/h4,6-7H,1-3,5,12H2.
What are the key properties of [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine has a molecular weight of 219.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine is sourced from PubChem (CID 120841493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).