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

C20H23N3O2S — CID 56889201

IUPACN-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCN(Cc1cc(-c2ccncc2)no1)Cc1ccc(C2CCCCO2)s1
InChIInChI=1S/C20H23N3O2S/c1-23(13-16-12-18(22-25-16)15-7-9-21-10-8-15)14-17-5-6-20(26-17)19-4-2-3-11-24-19/h5-10,12,19H,2-4,11,13-14H2,1H3
InChIKeyKFEDJJDLOAMQAY-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.67
Rot. Bonds6

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

N-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 56889201) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID56889201
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCN(Cc1cc(-c2ccncc2)no1)Cc1ccc(C2CCCCO2)s1
InChIInChI=1S/C20H23N3O2S/c1-23(13-16-12-18(22-25-16)15-7-9-21-10-8-15)14-17-5-6-20(26-17)19-4-2-3-11-24-19/h5-10,12,19H,2-4,11,13-14H2,1H3
InChIKeyKFEDJJDLOAMQAY-UHFFFAOYSA-N
XLogP4.67
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine
CID 99613583
N-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 77079897
N-methyl-1-(5-pyrazolidin-3-ylthiophen-2-yl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 133108043
methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate
CID 56915722
N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 134712685
N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine
CID 91761200
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine
CID 56898566
N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 77083888
N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 131952470
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
CID 91841578
4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 118772164
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 70724833

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine (CID 56889201) is N-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine is CN(Cc1cc(-c2ccncc2)no1)Cc1ccc(C2CCCCO2)s1.
What is the InChIKey of N-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is KFEDJJDLOAMQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-23(13-16-12-18(22-25-16)15-7-9-21-10-8-15)14-17-5-6-20(26-17)19-4-2-3-11-24-19/h5-10,12,19H,2-4,11,13-14H2,1H3.
What are the key properties of N-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
N-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 369.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 56889201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).