3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide

C18H25N3O2 — CID 75521406

IUPAC3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide
SMILESCCC(NCc1cccc(C(=O)N(C)C)c1)c1c(C)noc1C
InChIInChI=1S/C18H25N3O2/c1-6-16(17-12(2)20-23-13(17)3)19-11-14-8-7-9-15(10-14)18(22)21(4)5/h7-10,16,19H,6,11H2,1-5H3
InChIKeyNCHCZQWPFCHKKU-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.23
Rot. Bonds6

About 3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide

3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide (PubChem CID 75521406) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide
PubChem CID75521406
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide
SMILESCCC(NCc1cccc(C(=O)N(C)C)c1)c1c(C)noc1C
InChIInChI=1S/C18H25N3O2/c1-6-16(17-12(2)20-23-13(17)3)19-11-14-8-7-9-15(10-14)18(22)21(4)5/h7-10,16,19H,6,11H2,1-5H3
InChIKeyNCHCZQWPFCHKKU-UHFFFAOYSA-N
XLogP3.23
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide
CID 86789732
N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide
CID 75521396
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 95977617
3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide
CID 75504863
2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-2-oxoethyl]benzoic acid
CID 120699128
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 97244970
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
3-[[[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 99775891
N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide
CID 97230696

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide (CID 75521406) is 3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide is CCC(NCc1cccc(C(=O)N(C)C)c1)c1c(C)noc1C.
What is the InChIKey of 3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide?
The InChIKey is NCHCZQWPFCHKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-6-16(17-12(2)20-23-13(17)3)19-11-14-8-7-9-15(10-14)18(22)21(4)5/h7-10,16,19H,6,11H2,1-5H3.
What are the key properties of 3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide?
3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide has a molecular weight of 315.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 75521406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).