1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol

C12H13N3O2 — CID 115112692

IUPAC1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol
SMILESNCc1nc(-c2ccccc2C2(O)CC2)no1
InChIInChI=1S/C12H13N3O2/c13-7-10-14-11(15-17-10)8-3-1-2-4-9(8)12(16)5-6-12/h1-4,16H,5-7,13H2
InChIKeyHVWOYCRBWGSHRV-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.18
Rot. Bonds3

About 1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol

1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol (PubChem CID 115112692) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol
PubChem CID115112692
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol
SMILESNCc1nc(-c2ccccc2C2(O)CC2)no1
InChIInChI=1S/C12H13N3O2/c13-7-10-14-11(15-17-10)8-3-1-2-4-9(8)12(16)5-6-12/h1-4,16H,5-7,13H2
InChIKeyHVWOYCRBWGSHRV-UHFFFAOYSA-N
XLogP1.18
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117342084
[3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117399628
[3-(1,2-benzothiazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117336159
[3-(2,3-dihydro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309097
1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol
CID 115112305
[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117436157
[3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117463936
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 137011517
[3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117354721
[3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354726
[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117390951

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol (CID 115112692) is 1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol is NCc1nc(-c2ccccc2C2(O)CC2)no1.
What is the InChIKey of 1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol?
The InChIKey is HVWOYCRBWGSHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-7-10-14-11(15-17-10)8-3-1-2-4-9(8)12(16)5-6-12/h1-4,16H,5-7,13H2.
What are the key properties of 1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol?
1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol has a molecular weight of 231.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol is sourced from PubChem (CID 115112692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).