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

C15H15N3OS — CID 115917439

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1nc(-c2ccc(NC(C)c3cncs3)cc2)co1
InChIInChI=1S/C15H15N3OS/c1-10(15-7-16-9-20-15)17-13-5-3-12(4-6-13)14-8-19-11(2)18-14/h3-10,17H,1-2H3
InChIKeyFQTKSMMKFPQWQJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.28
Rot. Bonds4

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

4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 115917439) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
PubChem CID115917439
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1nc(-c2ccc(NC(C)c3cncs3)cc2)co1
InChIInChI=1S/C15H15N3OS/c1-10(15-7-16-9-20-15)17-13-5-3-12(4-6-13)14-8-19-11(2)18-14/h3-10,17H,1-2H3
InChIKeyFQTKSMMKFPQWQJ-UHFFFAOYSA-N
XLogP4.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43704849
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-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928974
2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 115917264
3-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182
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
2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide
CID 115917200
4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115922548
4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 103582106
2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol
CID 107678452

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline (CID 115917439) is 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline is Cc1nc(-c2ccc(NC(C)c3cncs3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is FQTKSMMKFPQWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10(15-7-16-9-20-15)17-13-5-3-12(4-6-13)14-8-19-11(2)18-14/h3-10,17H,1-2H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 285.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 115917439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).