N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine

C12H13N3O2 — CID 55096100

IUPACN-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccccc1-c1noc(NC2CC2)n1
InChIInChI=1S/C12H13N3O2/c1-16-10-5-3-2-4-9(10)11-14-12(17-15-11)13-8-6-7-8/h2-5,8H,6-7H2,1H3,(H,13,14,15)
InChIKeyZIRHZPXKFCPPJC-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.32
Rot. Bonds4

About N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine

N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 55096100) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID55096100
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccccc1-c1noc(NC2CC2)n1
InChIInChI=1S/C12H13N3O2/c1-16-10-5-3-2-4-9(10)11-14-12(17-15-11)13-8-6-7-8/h2-5,8H,6-7H2,1H3,(H,13,14,15)
InChIKeyZIRHZPXKFCPPJC-UHFFFAOYSA-N
XLogP2.32
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342176
N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62595048
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62594321
N-cyclohexyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027868
3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346269
3-(2-bromo-3,4-difluorophenyl)-N-cyclopropyl-1,2,4-oxadiazol-5-amine
CID 107539889
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773034
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 120835468
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 63344313
5-[(1R)-1-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 124829552

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 55096100) is N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine is COc1ccccc1-c1noc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is ZIRHZPXKFCPPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-16-10-5-3-2-4-9(10)11-14-12(17-15-11)13-8-6-7-8/h2-5,8H,6-7H2,1H3,(H,13,14,15).
What are the key properties of N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 231.25 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 55096100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).