N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine

C14H15N3O2 — CID 107234132

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
SMILESC#CCOc1ccccc1CNCc1noc(C)n1
InChIInChI=1S/C14H15N3O2/c1-3-8-18-13-7-5-4-6-12(13)9-15-10-14-16-11(2)19-17-14/h1,4-7,15H,8-10H2,2H3
InChIKeyKXHYQBNDXZKMAW-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.68
Rot. Bonds6

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine (PubChem CID 107234132) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
PubChem CID107234132
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
SMILESC#CCOc1ccccc1CNCc1noc(C)n1
InChIInChI=1S/C14H15N3O2/c1-3-8-18-13-7-5-4-6-12(13)9-15-10-14-16-11(2)19-17-14/h1,4-7,15H,8-10H2,2H3
InChIKeyKXHYQBNDXZKMAW-UHFFFAOYSA-N
XLogP1.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 113248221
N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60881221
N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine
CID 106415025
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 60960448
1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28664190
N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60881788
2-bromo-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]phenol
CID 107234134
4-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]phenol
CID 115603324
2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 115616903
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 107911473
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 47186046
2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111983023

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine (CID 107234132) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine is C#CCOc1ccccc1CNCc1noc(C)n1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine?
The InChIKey is KXHYQBNDXZKMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-8-18-13-7-5-4-6-12(13)9-15-10-14-16-11(2)19-17-14/h1,4-7,15H,8-10H2,2H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine has a molecular weight of 257.29 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine is sourced from PubChem (CID 107234132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).