N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine

C15H21N3O3 — CID 82000947

IUPACN-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OC)cc1OCc1ncon1
InChIInChI=1S/C15H21N3O3/c1-4-7-16-11(2)13-6-5-12(19-3)8-14(13)20-9-15-17-10-21-18-15/h5-6,8,10-11,16H,4,7,9H2,1-3H3
InChIKeyPUQXKXLVRUDIFS-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.72
Rot. Bonds8

About N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine

N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 82000947) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
PubChem CID82000947
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OC)cc1OCc1ncon1
InChIInChI=1S/C15H21N3O3/c1-4-7-16-11(2)13-6-5-12(19-3)8-14(13)20-9-15-17-10-21-18-15/h5-6,8,10-11,16H,4,7,9H2,1-3H3
InChIKeyPUQXKXLVRUDIFS-UHFFFAOYSA-N
XLogP2.72
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60887882
N-[[5-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877966
4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol
CID 82000949
N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine
CID 82000646
N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 63639606
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide
CID 82000648
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 82000377
N-ethyl-1-[4-methoxy-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 82000944
N-[1-[4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63640130
1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine
CID 107716494
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 112640461

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine (CID 82000947) is N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OC)cc1OCc1ncon1.
What is the InChIKey of N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is PUQXKXLVRUDIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-7-16-11(2)13-6-5-12(19-3)8-14(13)20-9-15-17-10-21-18-15/h5-6,8,10-11,16H,4,7,9H2,1-3H3.
What are the key properties of N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine?
N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 291.35 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 82000947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).