N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

C15H14N2OS — CID 65288050

IUPACN-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc2c(-c3nc(CNC4CC4)co3)csc2c1
InChIInChI=1S/C15H14N2OS/c1-2-4-14-12(3-1)13(9-19-14)15-17-11(8-18-15)7-16-10-5-6-10/h1-4,8-10,16H,5-7H2
InChIKeyMPDGWHNEJSGUCA-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.81
Rot. Bonds4

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

N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 65288050) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID65288050
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc2c(-c3nc(CNC4CC4)co3)csc2c1
InChIInChI=1S/C15H14N2OS/c1-2-4-14-12(3-1)13(9-19-14)15-17-11(8-18-15)7-16-10-5-6-10/h1-4,8-10,16H,5-7H2
InChIKeyMPDGWHNEJSGUCA-UHFFFAOYSA-N
XLogP3.81
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62139251
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclododecanamine
CID 56669725
N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 114376117
N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 116877405
N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288193
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 102885629
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
N-[[2-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288388
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288587
N-[[2-(3-chloro-4-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 82879138
2-N-[4-(1-benzothiophen-3-ylmethylamino)cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 157417375
1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 56682320

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 65288050) is N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is c1ccc2c(-c3nc(CNC4CC4)co3)csc2c1.
What is the InChIKey of N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is MPDGWHNEJSGUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-4-14-12(3-1)13(9-19-14)15-17-11(8-18-15)7-16-10-5-6-10/h1-4,8-10,16H,5-7H2.
What are the key properties of N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 270.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65288050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).