5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline

C20H18N4OS — CID 155187671

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline
SMILESCc1ccc(-c2c(C)noc2C)cc1Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C20H18N4OS/c1-12-4-5-16(20-13(2)23-25-14(20)3)10-18(12)21-17-8-6-15(7-9-17)19-11-26-24-22-19/h4-11,21H,1-3H3
InChIKeyNWNMRUXCWUTGTQ-UHFFFAOYSA-N
MW362.46 g/mol
LogP5.53
Rot. Bonds4

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline (PubChem CID 155187671) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline
PubChem CID155187671
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline
SMILESCc1ccc(-c2c(C)noc2C)cc1Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C20H18N4OS/c1-12-4-5-16(20-13(2)23-25-14(20)3)10-18(12)21-17-8-6-15(7-9-17)19-11-26-24-22-19/h4-11,21H,1-3H3
InChIKeyNWNMRUXCWUTGTQ-UHFFFAOYSA-N
XLogP5.53
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.46
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile
CID 155187782
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 95768858
methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate
CID 167061902
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
CID 165343462
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(5-isocyano-2-methylphenyl)-2-N-methylpyridine-2,3-diamine
CID 140824867
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 53054290
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724
methyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylanilino)benzoate
CID 90375101
4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile
CID 121379040
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline (CID 155187671) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline is Cc1ccc(-c2c(C)noc2C)cc1Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline?
The InChIKey is NWNMRUXCWUTGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-12-4-5-16(20-13(2)23-25-14(20)3)10-18(12)21-17-8-6-15(7-9-17)19-11-26-24-22-19/h4-11,21H,1-3H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline has a molecular weight of 362.46 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline is sourced from PubChem (CID 155187671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).