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

C20H20N4O2S — CID 56748813

IUPACN-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1ccsc1-c1nc(CN(C)Cc2nnc(-c3ccccc3)o2)c(C)o1
InChIInChI=1S/C20H20N4O2S/c1-13-9-10-27-18(13)20-21-16(14(2)25-20)11-24(3)12-17-22-23-19(26-17)15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3
InChIKeyVPMNPJQSTGSLOU-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.70
Rot. Bonds6

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

N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 56748813) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID56748813
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1ccsc1-c1nc(CN(C)Cc2nnc(-c3ccccc3)o2)c(C)o1
InChIInChI=1S/C20H20N4O2S/c1-13-9-10-27-18(13)20-21-16(14(2)25-20)11-24(3)12-17-22-23-19(26-17)15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3
InChIKeyVPMNPJQSTGSLOU-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

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 8802346
N-methyl-1-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 26321974
1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56860557
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60589437
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56860414
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 53017537
4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
CID 29026134
N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 55543480
2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
CID 60712307

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 56748813) is N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is Cc1ccsc1-c1nc(CN(C)Cc2nnc(-c3ccccc3)o2)c(C)o1.
What is the InChIKey of N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is VPMNPJQSTGSLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13-9-10-27-18(13)20-21-16(14(2)25-20)11-24(3)12-17-22-23-19(26-17)15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]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-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 56748813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).