(1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine

C15H21N3O2 — CID 156843988

IUPAC(1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCc1ccc(-c2noc([C@H](C)N)n2)cc1OC(C)C
InChIInChI=1S/C15H21N3O2/c1-5-11-6-7-12(8-13(11)19-9(2)3)14-17-15(10(4)16)20-18-14/h6-10H,5,16H2,1-4H3/t10-/m0/s1
InChIKeyFHNGBCKZXDPGGC-JTQLQIEISA-N
MW275.35 g/mol
LogP3.11
Rot. Bonds5

About (1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine

(1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 156843988) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID156843988
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCc1ccc(-c2noc([C@H](C)N)n2)cc1OC(C)C
InChIInChI=1S/C15H21N3O2/c1-5-11-6-7-12(8-13(11)19-9(2)3)14-17-15(10(4)16)20-18-14/h6-10H,5,16H2,1-4H3/t10-/m0/s1
InChIKeyFHNGBCKZXDPGGC-JTQLQIEISA-N
XLogP3.11
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol
CID 136969288
(1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 97057783
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 71756178
1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63092751
5-(chloromethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 16779156
(1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 155272323
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 43630163
(1S)-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106847309
1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106847341
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
(2S)-2-amino-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 93251327

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 156843988) is (1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine is CCc1ccc(-c2noc([C@H](C)N)n2)cc1OC(C)C.
What is the InChIKey of (1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is FHNGBCKZXDPGGC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-11-6-7-12(8-13(11)19-9(2)3)14-17-15(10(4)16)20-18-14/h6-10H,5,16H2,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 156843988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).