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

C18H21N3O2S — CID 70771296

IUPACN-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
SMILESCSc1ccc(-c2nc(CN(C)Cc3cc(C)no3)c(C)o2)cc1
InChIInChI=1S/C18H21N3O2S/c1-12-9-15(23-20-12)10-21(3)11-17-13(2)22-18(19-17)14-5-7-16(24-4)8-6-14/h5-9H,10-11H2,1-4H3
InChIKeyJOJPZNDPGPYHMJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.30
Rot. Bonds6

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

N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine (PubChem CID 70771296) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
PubChem CID70771296
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
SMILESCSc1ccc(-c2nc(CN(C)Cc3cc(C)no3)c(C)o2)cc1
InChIInChI=1S/C18H21N3O2S/c1-12-9-15(23-20-12)10-21(3)11-17-13(2)22-18(19-17)14-5-7-16(24-4)8-6-14/h5-9H,10-11H2,1-4H3
InChIKeyJOJPZNDPGPYHMJ-UHFFFAOYSA-N
XLogP4.30
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine (CID 70771296) is N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine is CSc1ccc(-c2nc(CN(C)Cc3cc(C)no3)c(C)o2)cc1.
What is the InChIKey of N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The InChIKey is JOJPZNDPGPYHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-9-15(23-20-12)10-21(3)11-17-13(2)22-18(19-17)14-5-7-16(24-4)8-6-14/h5-9H,10-11H2,1-4H3.
What are the key properties of N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine has a molecular weight of 343.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 70771296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).