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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 60806481
N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine
CID 86983852
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-amine
CID 66213906
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 63637158
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 62686633
N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 24598704
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine
CID 8803017
4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
CID 17404827
N-benzyl-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 71881409
1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
CID 42930050

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).