N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine

C17H21N3OS — CID 24714267

IUPACN-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine
SMILESc1ccc(-c2noc(N3CCSCC3)c2CNC2CC2)cc1
InChIInChI=1S/C17H21N3OS/c1-2-4-13(5-3-1)16-15(12-18-14-6-7-14)17(21-19-16)20-8-10-22-11-9-20/h1-5,14,18H,6-12H2
InChIKeyNNYFBBGHEXWIFU-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.15
Rot. Bonds5

About N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine

N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine (PubChem CID 24714267) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine
PubChem CID24714267
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine
SMILESc1ccc(-c2noc(N3CCSCC3)c2CNC2CC2)cc1
InChIInChI=1S/C17H21N3OS/c1-2-4-13(5-3-1)16-15(12-18-14-6-7-14)17(21-19-16)20-8-10-22-11-9-20/h1-5,14,18H,6-12H2
InChIKeyNNYFBBGHEXWIFU-UHFFFAOYSA-N
XLogP3.15
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine
CID 24714924
4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46023763
1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine
CID 24718053
N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 24714737
4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 46152821
N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine
CID 43281422
N-[(4-thiomorpholin-4-ylquinolin-2-yl)methyl]cyclopropanamine
CID 63373997
1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol
CID 42842286
N-butan-2-yl-2-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46023748
N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62751766
N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281437
N-benzyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
CID 46015005

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine (CID 24714267) is N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine is c1ccc(-c2noc(N3CCSCC3)c2CNC2CC2)cc1.
What is the InChIKey of N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine?
The InChIKey is NNYFBBGHEXWIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-4-13(5-3-1)16-15(12-18-14-6-7-14)17(21-19-16)20-8-10-22-11-9-20/h1-5,14,18H,6-12H2.
What are the key properties of N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine?
N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine has a molecular weight of 315.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 24714267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).