(1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol

C15H15N3O2 — CID 107836841

IUPAC(1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
SMILESNCC[C@H](O)c1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C15H15N3O2/c16-9-8-13(19)15-17-14(18-20-15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,19H,8-9,16H2/t13-/m0/s1
InChIKeyBATBRNSHGNWEGF-ZDUSSCGKSA-N
MW269.30 g/mol
LogP2.27
Rot. Bonds4

About (1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol

(1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol (PubChem CID 107836841) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
PubChem CID107836841
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
SMILESNCC[C@H](O)c1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C15H15N3O2/c16-9-8-13(19)15-17-14(18-20-15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,19H,8-9,16H2/t13-/m0/s1
InChIKeyBATBRNSHGNWEGF-ZDUSSCGKSA-N
XLogP2.27
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol with MolForge

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Related Compounds

3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836843
3-amino-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 62715873
3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836904
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63352229
2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62717069
(1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 94549155
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63346107
3-amino-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114006924
3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836623
3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114007003
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
3-amino-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836732

Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The IUPAC name of (1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol (CID 107836841) is (1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol.
What is the SMILES notation for (1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The canonical SMILES for (1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol is NCC[C@H](O)c1nc(-c2cccc3ccccc23)no1.
What is the InChIKey of (1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The InChIKey is BATBRNSHGNWEGF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-9-8-13(19)15-17-14(18-20-15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,19H,8-9,16H2/t13-/m0/s1.
What are the key properties of (1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol?
(1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol has a molecular weight of 269.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol is sourced from PubChem (CID 107836841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).