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

C14H16ClN3O3 — CID 104664282

IUPAC[5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cc(Cl)cc(CN)c1OCc1noc(C2CC2)n1
InChIInChI=1S/C14H16ClN3O3/c1-19-11-5-10(15)4-9(6-16)13(11)20-7-12-17-14(21-18-12)8-2-3-8/h4-5,8H,2-3,6-7,16H2,1H3
InChIKeySWAQIGHHGPOCRP-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.65
Rot. Bonds6

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

[5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine (PubChem CID 104664282) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is [5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
PubChem CID104664282
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name[5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cc(Cl)cc(CN)c1OCc1noc(C2CC2)n1
InChIInChI=1S/C14H16ClN3O3/c1-19-11-5-10(15)4-9(6-16)13(11)20-7-12-17-14(21-18-12)8-2-3-8/h4-5,8H,2-3,6-7,16H2,1H3
InChIKeySWAQIGHHGPOCRP-UHFFFAOYSA-N
XLogP2.65
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
CID 61497106
[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine
CID 61497179
[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608114
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid
CID 61497419
[5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine
CID 104664220
3-[(5-chloro-2-nitrophenoxy)methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 48838162
[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine
CID 104664075
2-[5-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495574
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanamine
CID 104664287
[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol
CID 79887566
1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 61497257
(2-but-2-ynoxy-5-chloro-3-methoxyphenyl)methanamine
CID 104664143

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine?
The IUPAC name of [5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine (CID 104664282) is [5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine.
What is the SMILES notation for [5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine?
The canonical SMILES for [5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine is COc1cc(Cl)cc(CN)c1OCc1noc(C2CC2)n1.
What is the InChIKey of [5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine?
The InChIKey is SWAQIGHHGPOCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-19-11-5-10(15)4-9(6-16)13(11)20-7-12-17-14(21-18-12)8-2-3-8/h4-5,8H,2-3,6-7,16H2,1H3.
What are the key properties of [5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine?
[5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine has a molecular weight of 309.75 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine is sourced from PubChem (CID 104664282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).