1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C13H17N3O3 — CID 43519296

IUPAC1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCCOc1cccc(-c2noc(C(N)C(C)O)n2)c1
InChIInChI=1S/C13H17N3O3/c1-3-18-10-6-4-5-9(7-10)12-15-13(19-16-12)11(14)8(2)17/h4-8,11,17H,3,14H2,1-2H3
InChIKeyLFBPNVPGOAZWJH-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.52
Rot. Bonds5

About 1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 43519296) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID43519296
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCCOc1cccc(-c2noc(C(N)C(C)O)n2)c1
InChIInChI=1S/C13H17N3O3/c1-3-18-10-6-4-5-9(7-10)12-15-13(19-16-12)11(14)8(2)17/h4-8,11,17H,3,14H2,1-2H3
InChIKeyLFBPNVPGOAZWJH-UHFFFAOYSA-N
XLogP1.52
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346032
3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539968
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346128
(1S,2R)-1-amino-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 29300337
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 43152100
2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 62715364
3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol
CID 96810008
2-[[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 62957229
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62818337
(1S)-1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 103399514

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 43519296) is 1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is CCOc1cccc(-c2noc(C(N)C(C)O)n2)c1.
What is the InChIKey of 1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is LFBPNVPGOAZWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-18-10-6-4-5-9(7-10)12-15-13(19-16-12)11(14)8(2)17/h4-8,11,17H,3,14H2,1-2H3.
What are the key properties of 1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 263.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 43519296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).