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

C14H13N3OS — CID 56662487

IUPAC1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
SMILESc1cncc(CNCc2coc(-c3cccs3)n2)c1
InChIInChI=1S/C14H13N3OS/c1-3-11(7-15-5-1)8-16-9-12-10-18-14(17-12)13-4-2-6-19-13/h1-7,10,16H,8-9H2
InChIKeyTWYJCVVOPYLVBA-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.09
Rot. Bonds5

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

1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine (PubChem CID 56662487) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
PubChem CID56662487
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
SMILESc1cncc(CNCc2coc(-c3cccs3)n2)c1
InChIInChI=1S/C14H13N3OS/c1-3-11(7-15-5-1)8-16-9-12-10-18-14(17-12)13-4-2-6-19-13/h1-7,10,16H,8-9H2
InChIKeyTWYJCVVOPYLVBA-UHFFFAOYSA-N
XLogP3.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine (CID 56662487) is 1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine is c1cncc(CNCc2coc(-c3cccs3)n2)c1.
What is the InChIKey of 1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The InChIKey is TWYJCVVOPYLVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-3-11(7-15-5-1)8-16-9-12-10-18-14(17-12)13-4-2-6-19-13/h1-7,10,16H,8-9H2.
What are the key properties of 1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine has a molecular weight of 271.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 56662487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).