[3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine

C14H17N3O2 — CID 115112725

IUPAC[3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOCC1(c2ccc(-c3noc(CN)n3)cc2)CC1
InChIInChI=1S/C14H17N3O2/c1-18-9-14(6-7-14)11-4-2-10(3-5-11)13-16-12(8-15)19-17-13/h2-5H,6-9,15H2,1H3
InChIKeyLQQIGEMPAUJBDM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.87
Rot. Bonds5

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

[3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 115112725) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID115112725
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOCC1(c2ccc(-c3noc(CN)n3)cc2)CC1
InChIInChI=1S/C14H17N3O2/c1-18-9-14(6-7-14)11-4-2-10(3-5-11)13-16-12(8-15)19-17-13/h2-5H,6-9,15H2,1H3
InChIKeyLQQIGEMPAUJBDM-UHFFFAOYSA-N
XLogP1.87
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115112723
[3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115112715
[3-[4-(1-methoxyethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117338078
[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 82479873
5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole
CID 141324082
[3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117401910
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117312143
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117360199
[3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117396391
3-[4-(bromomethyl)phenyl]-5-[[1-(4-chlorophenyl)cyclobutyl]methoxymethyl]-1,2,4-oxadiazole
CID 66685655

Frequently Asked Questions

What is the IUPAC name of [3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 115112725) is [3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine is COCC1(c2ccc(-c3noc(CN)n3)cc2)CC1.
What is the InChIKey of [3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is LQQIGEMPAUJBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-9-14(6-7-14)11-4-2-10(3-5-11)13-16-12(8-15)19-17-13/h2-5H,6-9,15H2,1H3.
What are the key properties of [3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 259.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 115112725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).