5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine

C15H22N4O2 — CID 137341427

IUPAC5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine
SMILESCCCOc1ccccc1CCCNc1nnc(CN)o1
InChIInChI=1S/C15H22N4O2/c1-2-10-20-13-8-4-3-6-12(13)7-5-9-17-15-19-18-14(11-16)21-15/h3-4,6,8H,2,5,7,9-11,16H2,1H3,(H,17,19)
InChIKeyTYTROCFBFJYODU-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.36
Rot. Bonds9

About 5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine (PubChem CID 137341427) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine
PubChem CID137341427
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine
SMILESCCCOc1ccccc1CCCNc1nnc(CN)o1
InChIInChI=1S/C15H22N4O2/c1-2-10-20-13-8-4-3-6-12(13)7-5-9-17-15-19-18-14(11-16)21-15/h3-4,6,8H,2,5,7,9-11,16H2,1H3,(H,17,19)
InChIKeyTYTROCFBFJYODU-UHFFFAOYSA-N
XLogP2.36
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
CID 141096936
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470
4-tert-butyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 99994651
5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine
CID 101129474
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
1-(3-methyl-2-pyridinyl)-3-[3-(2-propoxyphenyl)propyl]thiourea
CID 100703128
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453
5-(2-chloroethyl)-N-(3-propoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106958290
3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100532843

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine (CID 137341427) is 5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine is CCCOc1ccccc1CCCNc1nnc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is TYTROCFBFJYODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-10-20-13-8-4-3-6-12(13)7-5-9-17-15-19-18-14(11-16)21-15/h3-4,6,8H,2,5,7,9-11,16H2,1H3,(H,17,19).
What are the key properties of 5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 290.37 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[3-(2-propoxyphenyl)propyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137341427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).