4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide

C17H23N3O2 — CID 138055855

IUPAC4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCc2nc(C(C)(C)C)co2)cc1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)14-11-22-15(19-14)10-18-13-8-6-12(7-9-13)16(21)20(4)5/h6-9,11,18H,10H2,1-5H3
InChIKeyLBUHTJCGIAPLIQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.29
Rot. Bonds4

About 4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide

4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 138055855) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID138055855
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCc2nc(C(C)(C)C)co2)cc1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)14-11-22-15(19-14)10-18-13-8-6-12(7-9-13)16(21)20(4)5/h6-9,11,18H,10H2,1-5H3
InChIKeyLBUHTJCGIAPLIQ-UHFFFAOYSA-N
XLogP3.29
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115687991
4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43681973
4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555070
2-[4-(dimethylcarbamoyl)anilino]acetic acid
CID 58044865
N,N-dimethyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43681971
1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 167807317
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921583
N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide
CID 43780630
4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 43681979
4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 103696962
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide
CID 43230444
2-[(4-fluoroanilino)methyl]-1,3-oxazole-4-carboxylic acid
CID 82291528

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide (CID 138055855) is 4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NCc2nc(C(C)(C)C)co2)cc1.
What is the InChIKey of 4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is LBUHTJCGIAPLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,3)14-11-22-15(19-14)10-18-13-8-6-12(7-9-13)16(21)20(4)5/h6-9,11,18H,10H2,1-5H3.
What are the key properties of 4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide?
4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 301.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 138055855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).