[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine

C14H17N3O3 — CID 61497106

IUPAC[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OCc1noc(C2CC2)n1
InChIInChI=1S/C14H17N3O3/c1-18-11-4-2-3-10(7-15)13(11)19-8-12-16-14(20-17-12)9-5-6-9/h2-4,9H,5-8,15H2,1H3
InChIKeyVUAFSEGTIOVBTN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.99
Rot. Bonds6

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

[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine (PubChem CID 61497106) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
PubChem CID61497106
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OCc1noc(C2CC2)n1
InChIInChI=1S/C14H17N3O3/c1-18-11-4-2-3-10(7-15)13(11)19-8-12-16-14(20-17-12)9-5-6-9/h2-4,9H,5-8,15H2,1H3
InChIKeyVUAFSEGTIOVBTN-UHFFFAOYSA-N
XLogP1.99
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine?
The IUPAC name of [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine (CID 61497106) is [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine.
What is the SMILES notation for [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine?
The canonical SMILES for [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine is COc1cccc(CN)c1OCc1noc(C2CC2)n1.
What is the InChIKey of [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine?
The InChIKey is VUAFSEGTIOVBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-18-11-4-2-3-10(7-15)13(11)19-8-12-16-14(20-17-12)9-5-6-9/h2-4,9H,5-8,15H2,1H3.
What are the key properties of [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine?
[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine has a molecular weight of 275.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine is sourced from PubChem (CID 61497106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).