5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine

C15H22N4O2 — CID 103388781

IUPAC5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(-c2nnco2)cc1C
InChIInChI=1S/C15H22N4O2/c1-11-8-12(15-19-17-10-21-15)5-6-14(11)18-13(9-20-2)4-3-7-16/h5-6,8,10,13,18H,3-4,7,9,16H2,1-2H3
InChIKeyAKBPPKCZCQRUQL-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.21
Rot. Bonds8

About 5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine

5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine (PubChem CID 103388781) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine
PubChem CID103388781
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(-c2nnco2)cc1C
InChIInChI=1S/C15H22N4O2/c1-11-8-12(15-19-17-10-21-15)5-6-14(11)18-13(9-20-2)4-3-7-16/h5-6,8,10,13,18H,3-4,7,9,16H2,1-2H3
InChIKeyAKBPPKCZCQRUQL-UHFFFAOYSA-N
XLogP2.21
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine (CID 103388781) is 5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine is COCC(CCCN)Nc1ccc(-c2nnco2)cc1C.
What is the InChIKey of 5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine?
The InChIKey is AKBPPKCZCQRUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-8-12(15-19-17-10-21-15)5-6-14(11)18-13(9-20-2)4-3-7-16/h5-6,8,10,13,18H,3-4,7,9,16H2,1-2H3.
What are the key properties of 5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine?
5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine has a molecular weight of 290.37 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine is sourced from PubChem (CID 103388781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).