4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline

C16H16N2OS — CID 43704849

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline
SMILESCc1nc(-c2ccc(NC(C)c3cccs3)cc2)co1
InChIInChI=1S/C16H16N2OS/c1-11(16-4-3-9-20-16)17-14-7-5-13(6-8-14)15-10-19-12(2)18-15/h3-11,17H,1-2H3
InChIKeyLTGCPVZVCURIQI-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.88
Rot. Bonds4

About 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline

4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43704849) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43704849
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline
SMILESCc1nc(-c2ccc(NC(C)c3cccs3)cc2)co1
InChIInChI=1S/C16H16N2OS/c1-11(16-4-3-9-20-16)17-14-7-5-13(6-8-14)15-10-19-12(2)18-15/h3-11,17H,1-2H3
InChIKeyLTGCPVZVCURIQI-UHFFFAOYSA-N
XLogP4.88
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917439
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704811
4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline
CID 43704850
4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43686655
N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704863
N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704826
4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534384
4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide
CID 129357101
N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 103438995
4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline
CID 43704914
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43097732
4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 43704886

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline (CID 43704849) is 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline is Cc1nc(-c2ccc(NC(C)c3cccs3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is LTGCPVZVCURIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11(16-4-3-9-20-16)17-14-7-5-13(6-8-14)15-10-19-12(2)18-15/h3-11,17H,1-2H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline?
4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 284.38 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43704849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).