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

C20H20N4O2S — CID 56743292

IUPACN-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
SMILESCc1ccsc1-c1nc(CN(C)Cc2cc(-c3ccncc3)no2)c(C)o1
InChIInChI=1S/C20H20N4O2S/c1-13-6-9-27-19(13)20-22-18(14(2)25-20)12-24(3)11-16-10-17(23-26-16)15-4-7-21-8-5-15/h4-10H,11-12H2,1-3H3
InChIKeyGJANGHDXYNOCPH-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.70
Rot. Bonds6

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

N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine (PubChem CID 56743292) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
PubChem CID56743292
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
SMILESCc1ccsc1-c1nc(CN(C)Cc2cc(-c3ccncc3)no2)c(C)o1
InChIInChI=1S/C20H20N4O2S/c1-13-6-9-27-19(13)20-22-18(14(2)25-20)12-24(3)11-16-10-17(23-26-16)15-4-7-21-8-5-15/h4-10H,11-12H2,1-3H3
InChIKeyGJANGHDXYNOCPH-UHFFFAOYSA-N
XLogP4.70
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine with MolForge

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Launch Full Analysis

Related Compounds

(Isoquinolin-5-ylmethyl)methyl{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}amine
CID 16191249
5-phenyl-N-((5-(thiophen-2-yl)isoxazol-3-yl)methyl)oxazole-2-carboxamide
CID 45511532
1-(3-ethylisoxazol-5-yl)-N-methyl-N-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}methanamine
CID 56753211
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine
CID 71877466
N-methyl-1-(3-methylisoxazol-5-yl)-N-({5-methyl-2-[4-(methylthio)phenyl]-1,3-oxazol-4-yl}methyl)methanamine
CID 70771296
5-(4-fluorophenyl)-N-(3-(thiophen-2-yl)isoxazol-5-yl)oxazole-2-carboxamide
CID 76145350
5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole
CID 164634655
2,5-Dipyridin-2-yl-4-thiophen-2-yl-1,3-oxazole
CID 166445080
N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine
CID 60246563
(5-(Thiophen-2-yl)isoxazol-3-yl)(3-((4-(trifluoromethyl)pyridin-2-yl)oxy)pyrrolidin-1-yl)methanone
CID 92090332
5-[4-[5-(4-Fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 172898400
N-[2-[5-methyl-4-[[methyl-[(1-pyridin-3-ylpyrrol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide
CID 26345078

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine (CID 56743292) is N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine is Cc1ccsc1-c1nc(CN(C)Cc2cc(-c3ccncc3)no2)c(C)o1.
What is the InChIKey of N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The InChIKey is GJANGHDXYNOCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13-6-9-27-19(13)20-22-18(14(2)25-20)12-24(3)11-16-10-17(23-26-16)15-4-7-21-8-5-15/h4-10H,11-12H2,1-3H3.
What are the key properties of N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine has a molecular weight of 380.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 56743292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).