4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide

C20H23N3O3S — CID 16746076

IUPAC4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NC2CCOCC2)sc1C1(C)CC(c2ccccc2)=NO1
InChIInChI=1S/C20H23N3O3S/c1-13-17(20(2)12-16(23-26-20)14-6-4-3-5-7-14)27-19(21-13)18(24)22-15-8-10-25-11-9-15/h3-7,15H,8-12H2,1-2H3,(H,22,24)
InChIKeyJWUZAPCXICFUSL-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.40
Rot. Bonds4

About 4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide

4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide (PubChem CID 16746076) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
PubChem CID16746076
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NC2CCOCC2)sc1C1(C)CC(c2ccccc2)=NO1
InChIInChI=1S/C20H23N3O3S/c1-13-17(20(2)12-16(23-26-20)14-6-4-3-5-7-14)27-19(21-13)18(24)22-15-8-10-25-11-9-15/h3-7,15H,8-12H2,1-2H3,(H,22,24)
InChIKeyJWUZAPCXICFUSL-UHFFFAOYSA-N
XLogP3.40
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide (CID 16746076) is 4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide is Cc1nc(C(=O)NC2CCOCC2)sc1C1(C)CC(c2ccccc2)=NO1.
What is the InChIKey of 4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is JWUZAPCXICFUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13-17(20(2)12-16(23-26-20)14-6-4-3-5-7-14)27-19(21-13)18(24)22-15-8-10-25-11-9-15/h3-7,15H,8-12H2,1-2H3,(H,22,24).
What are the key properties of 4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 16746076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).