[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine

C14H19N3O3 — CID 60887454

IUPAC[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OCc2nnc(C)o2)c1
InChIInChI=1S/C14H19N3O3/c1-3-6-18-12-5-4-11(8-15)13(7-12)19-9-14-17-16-10(2)20-14/h4-5,7H,3,6,8-9,15H2,1-2H3
InChIKeySIPJBTNXXYOWSI-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.20
Rot. Bonds7

About [2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine

[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine (PubChem CID 60887454) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine
PubChem CID60887454
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OCc2nnc(C)o2)c1
InChIInChI=1S/C14H19N3O3/c1-3-6-18-12-5-4-11(8-15)13(7-12)19-9-14-17-16-10(2)20-14/h4-5,7H,3,6,8-9,15H2,1-2H3
InChIKeySIPJBTNXXYOWSI-UHFFFAOYSA-N
XLogP2.20
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
[2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine
CID 115981753
[4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640347
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 61269447
[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
CID 82925951
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428
(2-but-2-ynoxy-4-propoxyphenyl)methanamine
CID 55057837
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine
CID 106436827
2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 110655535
[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine
CID 60915924

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine?
The IUPAC name of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine (CID 60887454) is [2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine.
What is the SMILES notation for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine?
The canonical SMILES for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine is CCCOc1ccc(CN)c(OCc2nnc(C)o2)c1.
What is the InChIKey of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine?
The InChIKey is SIPJBTNXXYOWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-6-18-12-5-4-11(8-15)13(7-12)19-9-14-17-16-10(2)20-14/h4-5,7H,3,6,8-9,15H2,1-2H3.
What are the key properties of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine?
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine has a molecular weight of 277.32 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine is sourced from PubChem (CID 60887454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).