N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine

C17H22N4OS — CID 56756354

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
SMILESCCn1ccnc1CN(C)Cc1nc(-c2sccc2C)oc1C
InChIInChI=1S/C17H22N4OS/c1-5-21-8-7-18-15(21)11-20(4)10-14-13(3)22-17(19-14)16-12(2)6-9-23-16/h6-9H,5,10-11H2,1-4H3
InChIKeyDRPHNMXLCOUVCX-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.87
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine (PubChem CID 56756354) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
PubChem CID56756354
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
SMILESCCn1ccnc1CN(C)Cc1nc(-c2sccc2C)oc1C
InChIInChI=1S/C17H22N4OS/c1-5-21-8-7-18-15(21)11-20(4)10-14-13(3)22-17(19-14)16-12(2)6-9-23-16/h6-9H,5,10-11H2,1-4H3
InChIKeyDRPHNMXLCOUVCX-UHFFFAOYSA-N
XLogP3.87
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 56742055
1-(5-isopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}methanamine
CID 56759213
1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine
CID 97467607
2,5-Dimethyl-3-(4-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}-1-piperazinyl)pyrazine
CID 25453348
ethyl 1-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}-1H-imidazole-2-carboxylate
CID 56750792
4-[[2-[(4-Fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 20908541
4-[(2-{[(3-Fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]-5-methyl-2-(thiophen-2-YL)-1,3-oxazole
CID 20908645
5-methyl-2-(5-methyl-2-thienyl)-4-[(2-propyl-1H-imidazol-1-yl)methyl]-1,3-oxazole
CID 56755102
5-methyl-4-[1-[(3S)-1-oxaspiro[4.4]nonan-3-yl]imidazol-2-yl]-2-thiophen-2-yl-1,3-oxazole
CID 96581036
2-[(4,5-Dimethylimidazol-1-yl)methyl]-5-thiophen-2-yl-1,3-oxazole
CID 132282710
2-methoxy-5-{2-[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]-1H-imidazol-1-yl}pyridine
CID 56914035
(S)-3-(4,5-diphenyloxazol-2-yl)-2-(ethyl(phenyl)amino)-1-(1-(thiophen-2-yl)-1H-imidazol-2-yl)propan-1-one
CID 169324641

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine (CID 56756354) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine is CCn1ccnc1CN(C)Cc1nc(-c2sccc2C)oc1C.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is DRPHNMXLCOUVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-5-21-8-7-18-15(21)11-20(4)10-14-13(3)22-17(19-14)16-12(2)6-9-23-16/h6-9H,5,10-11H2,1-4H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 330.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 56756354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).