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

C17H17N3OS — CID 126787573

IUPACN-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine
SMILESc1ccc(CN(Cc2coc(-c3cccs3)n2)C2CC2)nc1
InChIInChI=1S/C17H17N3OS/c1-2-8-18-13(4-1)10-20(15-6-7-15)11-14-12-21-17(19-14)16-5-3-9-22-16/h1-5,8-9,12,15H,6-7,10-11H2
InChIKeyVUGRYARWHGWXEM-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.96
Rot. Bonds6

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

N-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine (PubChem CID 126787573) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine
PubChem CID126787573
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine
SMILESc1ccc(CN(Cc2coc(-c3cccs3)n2)C2CC2)nc1
InChIInChI=1S/C17H17N3OS/c1-2-8-18-13(4-1)10-20(15-6-7-15)11-14-12-21-17(19-14)16-5-3-9-22-16/h1-5,8-9,12,15H,6-7,10-11H2
InChIKeyVUGRYARWHGWXEM-UHFFFAOYSA-N
XLogP3.96
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine (CID 126787573) is N-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine is c1ccc(CN(Cc2coc(-c3cccs3)n2)C2CC2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
The InChIKey is VUGRYARWHGWXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-8-18-13(4-1)10-20(15-6-7-15)11-14-12-21-17(19-14)16-5-3-9-22-16/h1-5,8-9,12,15H,6-7,10-11H2.
What are the key properties of N-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
N-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine has a molecular weight of 311.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 126787573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).