N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine

C15H16N2OS — CID 114911177

IUPACN-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnoc1-c1cc2ccccc2s1
InChIInChI=1S/C15H16N2OS/c1-10(2)16-8-12-9-17-18-15(12)14-7-11-5-3-4-6-13(11)19-14/h3-7,9-10,16H,8H2,1-2H3
InChIKeyLYMDZNXHQQFXRE-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.05
Rot. Bonds4

About N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine

N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 114911177) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine
PubChem CID114911177
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnoc1-c1cc2ccccc2s1
InChIInChI=1S/C15H16N2OS/c1-10(2)16-8-12-9-17-18-15(12)14-7-11-5-3-4-6-13(11)19-14/h3-7,9-10,16H,8H2,1-2H3
InChIKeyLYMDZNXHQQFXRE-UHFFFAOYSA-N
XLogP4.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114911181
N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine
CID 65239769
N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 114911343
N-[[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65287899
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 65239826
N-[[5-(3-bromo-4-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 65239484
N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 65240224
N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 114910432
N-[[5-(4-nitrophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 65239538
1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 114911396
N-methyl-1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanamine
CID 65240209
5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
CID 115109627

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine (CID 114911177) is N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cnoc1-c1cc2ccccc2s1.
What is the InChIKey of N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is LYMDZNXHQQFXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10(2)16-8-12-9-17-18-15(12)14-7-11-5-3-4-6-13(11)19-14/h3-7,9-10,16H,8H2,1-2H3.
What are the key properties of N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine?
N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 272.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114911177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).