N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine

C19H23N3O2S — CID 75403210

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCCOc1ccc(-c2nc(CN(C)Cc3c(C)noc3C)cs2)cc1
InChIInChI=1S/C19H23N3O2S/c1-5-23-17-8-6-15(7-9-17)19-20-16(12-25-19)10-22(4)11-18-13(2)21-24-14(18)3/h6-9,12H,5,10-11H2,1-4H3
InChIKeyDQKPXZFYDVWXNH-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.45
Rot. Bonds7

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 75403210) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID75403210
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCCOc1ccc(-c2nc(CN(C)Cc3c(C)noc3C)cs2)cc1
InChIInChI=1S/C19H23N3O2S/c1-5-23-17-8-6-15(7-9-17)19-20-16(12-25-19)10-22(4)11-18-13(2)21-24-14(18)3/h6-9,12H,5,10-11H2,1-4H3
InChIKeyDQKPXZFYDVWXNH-UHFFFAOYSA-N
XLogP4.45
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenylisoxazole
CID 2745588
Isoxazole, 5-[5-[4-(4,5-dimethyl-2-thiazolyl)phenoxy]pentyl]-3-methyl-
CID 5273093
3-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
CID 2745401
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 75369420
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 75403324
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine
CID 2745842
2-{4-[[5-(3-Methyl-5-isoxazolyl)pentyl]oxy]phenyl}benzothiazole
CID 6483422
3-Methyl-5-{5-[4-(2-thiazolyl)phenoxy]pentyl}isoxazole
CID 6483424
3-Methyl-5-[7-[4-(2-methylthiazol-4-yl)phenoxy]heptyl]isoxazole
CID 6483426
US9670157, 41 1-[2-(4-Ethoxy-phenyl)-thiazol-4-ylmethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid 4-aminomethyl-benzylamide
CID 126614035
Ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 2744703
N-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 2745903

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 75403210) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine is CCOc1ccc(-c2nc(CN(C)Cc3c(C)noc3C)cs2)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is DQKPXZFYDVWXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-5-23-17-8-6-15(7-9-17)19-20-16(12-25-19)10-22(4)11-18-13(2)21-24-14(18)3/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 357.48 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 75403210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).