N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

C15H19N3O2 — CID 60607130

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2CN(C)C)no1
InChIInChI=1S/C15H19N3O2/c1-11-8-14(17-20-11)15(19)16-9-12-6-4-5-7-13(12)10-18(2)3/h4-8H,9-10H2,1-3H3,(H,16,19)
InChIKeyFEOGMLFWGAGHQX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.97
Rot. Bonds5

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 60607130) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID60607130
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2CN(C)C)no1
InChIInChI=1S/C15H19N3O2/c1-11-8-14(17-20-11)15(19)16-9-12-6-4-5-7-13(12)10-18(2)3/h4-8H,9-10H2,1-3H3,(H,16,19)
InChIKeyFEOGMLFWGAGHQX-UHFFFAOYSA-N
XLogP1.97
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51277216
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787998
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
CID 60668726
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42515365
5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60593102
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 86931949
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 129396870
N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8991000
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 41276041
5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 91630166

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 60607130) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2ccccc2CN(C)C)no1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is FEOGMLFWGAGHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-8-14(17-20-11)15(19)16-9-12-6-4-5-7-13(12)10-18(2)3/h4-8H,9-10H2,1-3H3,(H,16,19).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 60607130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).