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

C19H22N4O3S — CID 102589267

IUPAC4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NC2CCOCC2)sc1C1(C)CC(c2cccnc2)=NO1
InChIInChI=1S/C19H22N4O3S/c1-12-16(19(2)10-15(23-26-19)13-4-3-7-20-11-13)27-18(21-12)17(24)22-14-5-8-25-9-6-14/h3-4,7,11,14H,5-6,8-10H2,1-2H3,(H,22,24)
InChIKeyQZOZXYYGJGNKGN-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.80
Rot. Bonds4

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

4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide (PubChem CID 102589267) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
PubChem CID102589267
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NC2CCOCC2)sc1C1(C)CC(c2cccnc2)=NO1
InChIInChI=1S/C19H22N4O3S/c1-12-16(19(2)10-15(23-26-19)13-4-3-7-20-11-13)27-18(21-12)17(24)22-14-5-8-25-9-6-14/h3-4,7,11,14H,5-6,8-10H2,1-2H3,(H,22,24)
InChIKeyQZOZXYYGJGNKGN-UHFFFAOYSA-N
XLogP2.80
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 16746076
N-cyclopropyl-4-methyl-5-[5-methyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]-1,3-thiazole-2-carboxamide
CID 16746099
N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 154654592
5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 70669437
4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 58236116
4-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 81242575
6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 168678064
N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
CID 155590316
3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 105068747
ethyl 4-[(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 3520150
2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 126936211
5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 145391919

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(5-methyl-3-pyridin-3-yl-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-pyridin-3-yl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide (CID 102589267) is 4-methyl-5-(5-methyl-3-pyridin-3-yl-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-pyridin-3-yl-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-pyridin-3-yl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide is Cc1nc(C(=O)NC2CCOCC2)sc1C1(C)CC(c2cccnc2)=NO1.
What is the InChIKey of 4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is QZOZXYYGJGNKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12-16(19(2)10-15(23-26-19)13-4-3-7-20-11-13)27-18(21-12)17(24)22-14-5-8-25-9-6-14/h3-4,7,11,14H,5-6,8-10H2,1-2H3,(H,22,24).
What are the key properties of 4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 102589267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).