N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

C20H15Cl2F2N5O2S — CID 168934091

IUPACN-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCn1cc(C(C)(CNC(=O)c2cc(-c3ccc(F)cc3F)on2)c2nc(Cl)sc2Cl)cn1
InChIInChI=1S/C20H15Cl2F2N5O2S/c1-20(10-7-26-29(2)8-10,16-17(21)32-19(22)27-16)9-25-18(30)14-6-15(31-28-14)12-4-3-11(23)5-13(12)24/h3-8H,9H2,1-2H3,(H,25,30)
InChIKeyITJDPXPHTLRSBZ-UHFFFAOYSA-N
MW498.34 g/mol
LogP4.85
Rot. Bonds6

About N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 168934091) has the molecular formula C20H15Cl2F2N5O2S and a molecular weight of 498.34 g/mol. Its IUPAC name is N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID168934091
Molecular FormulaC20H15Cl2F2N5O2S
Molecular Weight498.34 g/mol
Exact Mass497.03
IUPAC NameN-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCn1cc(C(C)(CNC(=O)c2cc(-c3ccc(F)cc3F)on2)c2nc(Cl)sc2Cl)cn1
InChIInChI=1S/C20H15Cl2F2N5O2S/c1-20(10-7-26-29(2)8-10,16-17(21)32-19(22)27-16)9-25-18(30)14-6-15(31-28-14)12-4-3-11(23)5-13(12)24/h3-8H,9H2,1-2H3,(H,25,30)
InChIKeyITJDPXPHTLRSBZ-UHFFFAOYSA-N
XLogP4.85
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.34
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-chloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 168934073
N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 178118267
N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide
CID 177043581
N-[2-(6-chloro-2-pyridinyl)-2-(1-methylpyrazol-4-yl)butyl]-5-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 167452006
2,5-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]thiophene-3-carboxamide
CID 111458654
N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide
CID 171488960
5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide
CID 178030702
5-(2,4-difluorophenyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 169080373
5-fluoro-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111664836
4-[[4-[[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid;hydrochloride
CID 169080353
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 169080368
N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide
CID 177043584

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (CID 168934091) is N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is Cn1cc(C(C)(CNC(=O)c2cc(-c3ccc(F)cc3F)on2)c2nc(Cl)sc2Cl)cn1.
What is the InChIKey of N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ITJDPXPHTLRSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F2N5O2S/c1-20(10-7-26-29(2)8-10,16-17(21)32-19(22)27-16)9-25-18(30)14-6-15(31-28-14)12-4-3-11(23)5-13(12)24/h3-8H,9H2,1-2H3,(H,25,30).
What are the key properties of N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 498.34 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 168934091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).