N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

C15H22N4O2 — CID 104635367

IUPACN',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCCCOc1cccc(-c2nc(C(N)CN(C)C)no2)c1
InChIInChI=1S/C15H22N4O2/c1-4-8-20-12-7-5-6-11(9-12)15-17-14(18-21-15)13(16)10-19(2)3/h5-7,9,13H,4,8,10,16H2,1-3H3
InChIKeyDYCCFZFCHVOCOV-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.09
Rot. Bonds7

About N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (PubChem CID 104635367) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
PubChem CID104635367
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCCCOc1cccc(-c2nc(C(N)CN(C)C)no2)c1
InChIInChI=1S/C15H22N4O2/c1-4-8-20-12-7-5-6-11(9-12)15-17-14(18-21-15)13(16)10-19(2)3/h5-7,9,13H,4,8,10,16H2,1-3H3
InChIKeyDYCCFZFCHVOCOV-UHFFFAOYSA-N
XLogP2.09
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (CID 104635367) is N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is CCCOc1cccc(-c2nc(C(N)CN(C)C)no2)c1.
What is the InChIKey of N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The InChIKey is DYCCFZFCHVOCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-8-20-12-7-5-6-11(9-12)15-17-14(18-21-15)13(16)10-19(2)3/h5-7,9,13H,4,8,10,16H2,1-3H3.
What are the key properties of N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine has a molecular weight of 290.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 104635367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).