N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine

C14H18N2O4 — CID 106415689

IUPACN-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccno2)c(OC)c1OC
InChIInChI=1S/C14H18N2O4/c1-17-12-5-4-10(13(18-2)14(12)19-3)8-15-9-11-6-7-16-20-11/h4-7,15H,8-9H2,1-3H3
InChIKeyLTXBRSYYKUYRSK-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.99
Rot. Bonds7

About N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine

N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine (PubChem CID 106415689) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
PubChem CID106415689
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccno2)c(OC)c1OC
InChIInChI=1S/C14H18N2O4/c1-17-12-5-4-10(13(18-2)14(12)19-3)8-15-9-11-6-7-16-20-11/h4-7,15H,8-9H2,1-3H3
InChIKeyLTXBRSYYKUYRSK-UHFFFAOYSA-N
XLogP1.99
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415154
1-(2-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605023
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415514
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
2-[(2,3,4-trimethoxyphenyl)methylamino]acetonitrile
CID 139371375
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415003
2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4719122
1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47008110
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 52526472
N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 63002008

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine (CID 106415689) is N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine is COc1ccc(CNCc2ccno2)c(OC)c1OC.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine?
The InChIKey is LTXBRSYYKUYRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-17-12-5-4-10(13(18-2)14(12)19-3)8-15-9-11-6-7-16-20-11/h4-7,15H,8-9H2,1-3H3.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine?
N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine has a molecular weight of 278.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine is sourced from PubChem (CID 106415689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).