4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

C14H15N5O3 — CID 673198

IUPAC4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1ccc(O[C@@H](C)c2nc(-c3nonc3N)no2)cc1C
InChIInChI=1S/C14H15N5O3/c1-7-4-5-10(6-8(7)2)20-9(3)14-16-13(19-21-14)11-12(15)18-22-17-11/h4-6,9H,1-3H3,(H2,15,18)/t9-/m0/s1
InChIKeyRHYNRMGZQHLYTR-VIFPVBQESA-N
MW301.31 g/mol
LogP2.46
Rot. Bonds4

About 4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 673198) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
PubChem CID673198
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1ccc(O[C@@H](C)c2nc(-c3nonc3N)no2)cc1C
InChIInChI=1S/C14H15N5O3/c1-7-4-5-10(6-8(7)2)20-9(3)14-16-13(19-21-14)11-12(15)18-22-17-11/h4-6,9H,1-3H3,(H2,15,18)/t9-/m0/s1
InChIKeyRHYNRMGZQHLYTR-VIFPVBQESA-N
XLogP2.46
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine with MolForge

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Related Compounds

4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 574498
3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole
CID 19658029
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 112815966
3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 3160232
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 6472807
3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 2203125
5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 7233187
5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97122445
3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole
CID 167960781
5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole
CID 134040196

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (CID 673198) is 4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is Cc1ccc(O[C@@H](C)c2nc(-c3nonc3N)no2)cc1C.
What is the InChIKey of 4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is RHYNRMGZQHLYTR-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15N5O3/c1-7-4-5-10(6-8(7)2)20-9(3)14-16-13(19-21-14)11-12(15)18-22-17-11/h4-6,9H,1-3H3,(H2,15,18)/t9-/m0/s1.
What are the key properties of 4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 301.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 673198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).