(S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

C14H17N3O2 — CID 104898800

IUPAC(S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCOC1(c2noc([C@@H](N)c3ccccc3)n2)CCC1
InChIInChI=1S/C14H17N3O2/c1-18-14(8-5-9-14)13-16-12(19-17-13)11(15)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9,15H2,1H3/t11-/m0/s1
InChIKeyPGBHNFCKRZJHEW-NSHDSACASA-N
MW259.31 g/mol
LogP2.14
Rot. Bonds4

About (S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

(S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (PubChem CID 104898800) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.

Molecular Properties

Compound Name(S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
PubChem CID104898800
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCOC1(c2noc([C@@H](N)c3ccccc3)n2)CCC1
InChIInChI=1S/C14H17N3O2/c1-18-14(8-5-9-14)13-16-12(19-17-13)11(15)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9,15H2,1H3/t11-/m0/s1
InChIKeyPGBHNFCKRZJHEW-NSHDSACASA-N
XLogP2.14
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 116781675
1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918176
(R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898719
1-amino-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116701498
cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116701306
5-(1-chloroethyl)-3-(1-methoxycyclobutyl)-1,2,4-oxadiazole
CID 116701136
(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899668
1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine
CID 116701304
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116701374
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116741786
2-methoxy-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109357
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899927

Frequently Asked Questions

What is the IUPAC name of (S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The IUPAC name of (S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (CID 104898800) is (S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.
What is the SMILES notation for (S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The canonical SMILES for (S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is COC1(c2noc([C@@H](N)c3ccccc3)n2)CCC1.
What is the InChIKey of (S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The InChIKey is PGBHNFCKRZJHEW-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-14(8-5-9-14)13-16-12(19-17-13)11(15)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9,15H2,1H3/t11-/m0/s1.
What are the key properties of (S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
(S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine has a molecular weight of 259.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is sourced from PubChem (CID 104898800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).