N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine

C17H18N2OS — CID 43224432

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
SMILESCc1noc(C)c1CNC(c1ccccc1)c1cccs1
InChIInChI=1S/C17H18N2OS/c1-12-15(13(2)20-19-12)11-18-17(16-9-6-10-21-16)14-7-4-3-5-8-14/h3-10,17-18H,11H2,1-2H3
InChIKeyLCJPTQUCGVUEKY-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.23
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine (PubChem CID 43224432) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
PubChem CID43224432
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
SMILESCc1noc(C)c1CNC(c1ccccc1)c1cccs1
InChIInChI=1S/C17H18N2OS/c1-12-15(13(2)20-19-12)11-18-17(16-9-6-10-21-16)14-7-4-3-5-8-14/h3-10,17-18H,11H2,1-2H3
InChIKeyLCJPTQUCGVUEKY-UHFFFAOYSA-N
XLogP4.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 43183580
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
CID 52691160
1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740637
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885667
(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885665
N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224410
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287476
N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43786376
1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine
CID 79231629
N-[(3-methyltriazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 115682173
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 102610247
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 63260892

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine (CID 43224432) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine is Cc1noc(C)c1CNC(c1ccccc1)c1cccs1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The InChIKey is LCJPTQUCGVUEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-15(13(2)20-19-12)11-18-17(16-9-6-10-21-16)14-7-4-3-5-8-14/h3-10,17-18H,11H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine has a molecular weight of 298.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43224432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).