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

C15H15N3OS — CID 70724833

IUPACN-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCN(Cc1cc(-c2cccnc2)no1)Cc1cccs1
InChIInChI=1S/C15H15N3OS/c1-18(11-14-5-3-7-20-14)10-13-8-15(17-19-13)12-4-2-6-16-9-12/h2-9H,10-11H2,1H3
InChIKeyXFISVTARBHYFSC-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.43
Rot. Bonds5

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

N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 70724833) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID70724833
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCN(Cc1cc(-c2cccnc2)no1)Cc1cccs1
InChIInChI=1S/C15H15N3OS/c1-18(11-14-5-3-7-20-14)10-13-8-15(17-19-13)12-4-2-6-16-9-12/h2-9H,10-11H2,1H3
InChIKeyXFISVTARBHYFSC-UHFFFAOYSA-N
XLogP3.43
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 131944626
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine
CID 56898566
ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
CID 143675921
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 171908814
5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63571789
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62420414
5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride
CID 53398877
2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol
CID 146040722
5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 55756186
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 91790461
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
CID 56888188

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine (CID 70724833) is N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine is CN(Cc1cc(-c2cccnc2)no1)Cc1cccs1.
What is the InChIKey of N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is XFISVTARBHYFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-18(11-14-5-3-7-20-14)10-13-8-15(17-19-13)12-4-2-6-16-9-12/h2-9H,10-11H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 285.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 70724833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).