N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine

C14H14N2O2 — CID 106415025

IUPACN-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine
SMILESC#CCOc1ccccc1CNCc1ccno1
InChIInChI=1S/C14H14N2O2/c1-2-9-17-14-6-4-3-5-12(14)10-15-11-13-7-8-16-18-13/h1,3-8,15H,9-11H2
InChIKeyYKMRHYCJUGMICB-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.98
Rot. Bonds6

About N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine

N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine (PubChem CID 106415025) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine
PubChem CID106415025
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine
SMILESC#CCOc1ccccc1CNCc1ccno1
InChIInChI=1S/C14H14N2O2/c1-2-9-17-14-6-4-3-5-12(14)10-15-11-13-7-8-16-18-13/h1,3-8,15H,9-11H2
InChIKeyYKMRHYCJUGMICB-UHFFFAOYSA-N
XLogP1.98
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605023
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 107234132
4-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]phenol
CID 115603324
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415154
N-[(4-bromothiophen-2-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 60957191
2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide
CID 28607461
5-(2-prop-2-ynoxyphenyl)-1,2-oxazole
CID 139221429
2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 115616903
1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28664190
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 60960448
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 47186046

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine (CID 106415025) is N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine is C#CCOc1ccccc1CNCc1ccno1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine?
The InChIKey is YKMRHYCJUGMICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-9-17-14-6-4-3-5-12(14)10-15-11-13-7-8-16-18-13/h1,3-8,15H,9-11H2.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine?
N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine has a molecular weight of 242.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine is sourced from PubChem (CID 106415025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).