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

C15H15N3OS — CID 43704886

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(-c2ccc(NCc3csc(C)n3)cc2)co1
InChIInChI=1S/C15H15N3OS/c1-10-17-15(8-19-10)12-3-5-13(6-4-12)16-7-14-9-20-11(2)18-14/h3-6,8-9,16H,7H2,1-2H3
InChIKeyCPRHCCMZYIZFQC-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.03
Rot. Bonds4

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

4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 43704886) 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-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID43704886
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(-c2ccc(NCc3csc(C)n3)cc2)co1
InChIInChI=1S/C15H15N3OS/c1-10-17-15(8-19-10)12-3-5-13(6-4-12)16-7-14-9-20-11(2)18-14/h3-6,8-9,16H,7H2,1-2H3
InChIKeyCPRHCCMZYIZFQC-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704692
4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline
CID 43704914
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 62346872
4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline
CID 43704774
4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43704900
4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43704898
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 30049651
N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 43742551
[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745271
4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline
CID 107131578
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 130678172

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 43704886) is 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is Cc1nc(-c2ccc(NCc3csc(C)n3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is CPRHCCMZYIZFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-17-15(8-19-10)12-3-5-13(6-4-12)16-7-14-9-20-11(2)18-14/h3-6,8-9,16H,7H2,1-2H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 285.37 g/mol, XLogP of 4.03, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 43704886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).