4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine

C22H18N4O2S — CID 139234475

IUPAC4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2c(-c3csc(Nc4ccccc4)n3)nc3cc(C)on23)cc1
InChIInChI=1S/C22H18N4O2S/c1-14-12-19-25-20(18-13-29-22(24-18)23-16-6-4-3-5-7-16)21(26(19)28-14)15-8-10-17(27-2)11-9-15/h3-13H,1-2H3,(H,23,24)
InChIKeyMSQQOLMOBJOTJA-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.78
Rot. Bonds5

About 4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine

4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 139234475) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID139234475
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2c(-c3csc(Nc4ccccc4)n3)nc3cc(C)on23)cc1
InChIInChI=1S/C22H18N4O2S/c1-14-12-19-25-20(18-13-29-22(24-18)23-16-6-4-3-5-7-16)21(26(19)28-14)15-8-10-17(27-2)11-9-15/h3-13H,1-2H3,(H,23,24)
InChIKeyMSQQOLMOBJOTJA-UHFFFAOYSA-N
XLogP5.78
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-methyl-3-(4-methylphenyl)imidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine
CID 139234474
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 768029
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine
CID 167993102
N-phenyl-4-(2,5,7-trimethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 83813568

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine (CID 139234475) is 4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine is COc1ccc(-c2c(-c3csc(Nc4ccccc4)n3)nc3cc(C)on23)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is MSQQOLMOBJOTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-14-12-19-25-20(18-13-29-22(24-18)23-16-6-4-3-5-7-16)21(26(19)28-14)15-8-10-17(27-2)11-9-15/h3-13H,1-2H3,(H,23,24).
What are the key properties of 4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine?
4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 402.48 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-6-methylimidazo[1,2-b][1,2]oxazol-2-yl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 139234475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).