[3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine

C15H21N3O3 — CID 61495108

IUPAC[3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
SMILESCCCc1noc(COc2c(CN)cccc2OCC)n1
InChIInChI=1S/C15H21N3O3/c1-3-6-13-17-14(21-18-13)10-20-15-11(9-16)7-5-8-12(15)19-4-2/h5,7-8H,3-4,6,9-10,16H2,1-2H3
InChIKeySXHGRFDDSNQVFQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.46
Rot. Bonds8

About [3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine

[3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine (PubChem CID 61495108) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
PubChem CID61495108
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
SMILESCCCc1noc(COc2c(CN)cccc2OCC)n1
InChIInChI=1S/C15H21N3O3/c1-3-6-13-17-14(21-18-13)10-20-15-11(9-16)7-5-8-12(15)19-4-2/h5,7-8H,3-4,6,9-10,16H2,1-2H3
InChIKeySXHGRFDDSNQVFQ-UHFFFAOYSA-N
XLogP2.46
TPSA83.40 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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-ethoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 60905114
1-[3-ethoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60906821
N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495262
3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43366553
5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 60731170
[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 43366673
1-[3-methoxy-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 61495603
1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 114321952
3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 60722210
2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 61495181
[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine
CID 60891453
[3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487304

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine (CID 61495108) is [3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine is CCCc1noc(COc2c(CN)cccc2OCC)n1.
What is the InChIKey of [3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The InChIKey is SXHGRFDDSNQVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-6-13-17-14(21-18-13)10-20-15-11(9-16)7-5-8-12(15)19-4-2/h5,7-8H,3-4,6,9-10,16H2,1-2H3.
What are the key properties of [3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
[3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine has a molecular weight of 291.35 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 61495108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).