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

C16H16N2O2S — CID 73353928

IUPAC2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline
SMILESCOc1ccc(-c2cnco2)cc1NCc1ccc(C)s1
InChIInChI=1S/C16H16N2O2S/c1-11-3-5-13(21-11)8-18-14-7-12(4-6-15(14)19-2)16-9-17-10-20-16/h3-7,9-10,18H,8H2,1-2H3
InChIKeyQAZKETWXWUEARE-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.33
Rot. Bonds5

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

2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline (PubChem CID 73353928) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound Name2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline
PubChem CID73353928
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline
SMILESCOc1ccc(-c2cnco2)cc1NCc1ccc(C)s1
InChIInChI=1S/C16H16N2O2S/c1-11-3-5-13(21-11)8-18-14-7-12(4-6-15(14)19-2)16-9-17-10-20-16/h3-7,9-10,18H,8H2,1-2H3
InChIKeyQAZKETWXWUEARE-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

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Related Compounds

5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 106660447
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-nitroaniline
CID 43717727
methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate
CID 118720203
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline
CID 61060847
1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol
CID 71737151
3,4-dimethoxy-5-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline;ethane
CID 142222422
N-[(5-bromothiophen-2-yl)methyl]-3-(1,3-oxazol-5-yl)aniline
CID 54865173
4-bromo-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 79479165
3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 104776991
2,4-dibromo-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43683008
methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate
CID 82887609
6-chloro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine
CID 104599923

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline?
The IUPAC name of 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline (CID 73353928) is 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline is COc1ccc(-c2cnco2)cc1NCc1ccc(C)s1.
What is the InChIKey of 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline?
The InChIKey is QAZKETWXWUEARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-3-5-13(21-11)8-18-14-7-12(4-6-15(14)19-2)16-9-17-10-20-16/h3-7,9-10,18H,8H2,1-2H3.
What are the key properties of 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline?
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(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 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 73353928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).