3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline

C16H16N2O2S — CID 73353929

IUPAC3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCOc1cc(NCc2ccc(C)s2)ccc1-c1cnco1
InChIInChI=1S/C16H16N2O2S/c1-11-3-5-13(21-11)8-18-12-4-6-14(15(7-12)19-2)16-9-17-10-20-16/h3-7,9-10,18H,8H2,1-2H3
InChIKeyMKQIBWHUVAMFBS-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.33
Rot. Bonds5

About 3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline

3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 73353929) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound Name3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
PubChem CID73353929
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCOc1cc(NCc2ccc(C)s2)ccc1-c1cnco1
InChIInChI=1S/C16H16N2O2S/c1-11-3-5-13(21-11)8-18-12-4-6-14(15(7-12)19-2)16-9-17-10-20-16/h3-7,9-10,18H,8H2,1-2H3
InChIKeyMKQIBWHUVAMFBS-UHFFFAOYSA-N
XLogP4.33
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of 3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline (CID 73353929) is 3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for 3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for 3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline is COc1cc(NCc2ccc(C)s2)ccc1-c1cnco1.
What is the InChIKey of 3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is MKQIBWHUVAMFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-3-5-13(21-11)8-18-12-4-6-14(15(7-12)19-2)16-9-17-10-20-16/h3-7,9-10,18H,8H2,1-2H3.
What are the key properties of 3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 300.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 73353929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).