4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol

C21H19N3O2S — CID 138857639

IUPAC4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol
SMILESCc1cc(Nc2csc(-c3cc(-c4ccc(O)cc4)no3)n2)cc(C)c1C
InChIInChI=1S/C21H19N3O2S/c1-12-8-16(9-13(2)14(12)3)22-20-11-27-21(23-20)19-10-18(24-26-19)15-4-6-17(25)7-5-15/h4-11,22,25H,1-3H3
InChIKeyAVIHZCYAQYFVOX-UHFFFAOYSA-N
MW377.47 g/mol
LogP5.84
Rot. Bonds4

About 4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol

4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol (PubChem CID 138857639) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol
PubChem CID138857639
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol
SMILESCc1cc(Nc2csc(-c3cc(-c4ccc(O)cc4)no3)n2)cc(C)c1C
InChIInChI=1S/C21H19N3O2S/c1-12-8-16(9-13(2)14(12)3)22-20-11-27-21(23-20)19-10-18(24-26-19)15-4-6-17(25)7-5-15/h4-11,22,25H,1-3H3
InChIKeyAVIHZCYAQYFVOX-UHFFFAOYSA-N
XLogP5.84
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]phenol
CID 135604711
4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol
CID 137045534
[4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid
CID 136633818
4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenol
CID 83794182
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2214183
4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol
CID 136969519
N-[4-[2-(4-hydroxy-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 972851
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol
CID 136907983
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol
CID 972909
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol?
The IUPAC name of 4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol (CID 138857639) is 4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol.
What is the SMILES notation for 4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol?
The canonical SMILES for 4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol is Cc1cc(Nc2csc(-c3cc(-c4ccc(O)cc4)no3)n2)cc(C)c1C.
What is the InChIKey of 4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol?
The InChIKey is AVIHZCYAQYFVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-12-8-16(9-13(2)14(12)3)22-20-11-27-21(23-20)19-10-18(24-26-19)15-4-6-17(25)7-5-15/h4-11,22,25H,1-3H3.
What are the key properties of 4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol?
4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol has a molecular weight of 377.47 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(3,4,5-trimethylanilino)-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]phenol is sourced from PubChem (CID 138857639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).