[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine

C15H19N3O2 — CID 61497179

IUPAC[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCc1noc(C2CC2)n1
InChIInChI=1S/C15H19N3O2/c1-9-5-11(7-16)6-10(2)14(9)19-8-13-17-15(20-18-13)12-3-4-12/h5-6,12H,3-4,7-8,16H2,1-2H3
InChIKeyTZEFYDQMJYPXDO-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.60
Rot. Bonds5

About [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine

[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine (PubChem CID 61497179) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine
PubChem CID61497179
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCc1noc(C2CC2)n1
InChIInChI=1S/C15H19N3O2/c1-9-5-11(7-16)6-10(2)14(9)19-8-13-17-15(20-18-13)12-3-4-12/h5-6,12H,3-4,7-8,16H2,1-2H3
InChIKeyTZEFYDQMJYPXDO-UHFFFAOYSA-N
XLogP2.60
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
CID 104664282
[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
CID 61497106
[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol
CID 79887566
[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608114
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid
CID 61497495
[3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 60879041
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 54959696
1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine
CID 61497144
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 61495662
5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878
[3,5-dimethyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495368
2-[5-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495574

Frequently Asked Questions

What is the IUPAC name of [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine?
The IUPAC name of [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine (CID 61497179) is [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine.
What is the SMILES notation for [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine?
The canonical SMILES for [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine is Cc1cc(CN)cc(C)c1OCc1noc(C2CC2)n1.
What is the InChIKey of [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine?
The InChIKey is TZEFYDQMJYPXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-5-11(7-16)6-10(2)14(9)19-8-13-17-15(20-18-13)12-3-4-12/h5-6,12H,3-4,7-8,16H2,1-2H3.
What are the key properties of [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine?
[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine has a molecular weight of 273.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine is sourced from PubChem (CID 61497179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).