2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide

C24H27N5O4S — CID 4999773

IUPAC2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCC(c2nc(C(=O)NN3CCOCC3)cs2)CC1
InChIInChI=1S/C24H27N5O4S/c1-16-20(21(27-33-16)17-5-3-2-4-6-17)24(31)28-9-7-18(8-10-28)23-25-19(15-34-23)22(30)26-29-11-13-32-14-12-29/h2-6,15,18H,7-14H2,1H3,(H,26,30)
InChIKeyKIHDPVABMILHMH-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.10
Rot. Bonds5

About 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide

2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 4999773) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID4999773
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCC(c2nc(C(=O)NN3CCOCC3)cs2)CC1
InChIInChI=1S/C24H27N5O4S/c1-16-20(21(27-33-16)17-5-3-2-4-6-17)24(31)28-9-7-18(8-10-28)23-25-19(15-34-23)22(30)26-29-11-13-32-14-12-29/h2-6,15,18H,7-14H2,1H3,(H,26,30)
InChIKeyKIHDPVABMILHMH-UHFFFAOYSA-N
XLogP3.10
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 3856776
N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 4990009
2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
CID 3866503
2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
CID 3431250
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methanone
CID 3821424
2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide
CID 3828876
2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 3786311
2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 3860819
ethyl 1-[2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate
CID 3849184
propan-2-yl 1-[2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 3438266
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118793666

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide (CID 4999773) is 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N1CCC(c2nc(C(=O)NN3CCOCC3)cs2)CC1.
What is the InChIKey of 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is KIHDPVABMILHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-16-20(21(27-33-16)17-5-3-2-4-6-17)24(31)28-9-7-18(8-10-28)23-25-19(15-34-23)22(30)26-29-11-13-32-14-12-29/h2-6,15,18H,7-14H2,1H3,(H,26,30).
What are the key properties of 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide?
2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 4999773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).