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

C24H23F2N5O3S — CID 178118267

IUPACN-[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
SMILESCOc1c(C(C)(CNC(=O)c2cc(-c3ccc(F)cc3F)on2)c2nc(C3CC3)cs2)cnn1C
InChIInChI=1S/C24H23F2N5O3S/c1-24(16-10-28-31(2)22(16)33-3,23-29-19(11-35-23)13-4-5-13)12-27-21(32)18-9-20(34-30-18)15-7-6-14(25)8-17(15)26/h6-11,13H,4-5,12H2,1-3H3,(H,27,32)
InChIKeyWZAHXMUKBPDDDG-UHFFFAOYSA-N
MW499.54 g/mol
LogP4.43
Rot. Bonds8

About 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

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 (PubChem CID 178118267) has the molecular formula C24H23F2N5O3S and a molecular weight of 499.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID178118267
Molecular FormulaC24H23F2N5O3S
Molecular Weight499.54 g/mol
Exact Mass499.15
IUPAC NameN-[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
SMILESCOc1c(C(C)(CNC(=O)c2cc(-c3ccc(F)cc3F)on2)c2nc(C3CC3)cs2)cnn1C
InChIInChI=1S/C24H23F2N5O3S/c1-24(16-10-28-31(2)22(16)33-3,23-29-19(11-35-23)13-4-5-13)12-27-21(32)18-9-20(34-30-18)15-7-6-14(25)8-17(15)26/h6-11,13H,4-5,12H2,1-3H3,(H,27,32)
InChIKeyWZAHXMUKBPDDDG-UHFFFAOYSA-N
XLogP4.43
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propyl]-5-(2,6-difluoro-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 178118273
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-(5-cyano-1-methylpyrazol-4-yl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide
CID 178118286
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
2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile
CID 178118288
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 169080368
4-[[4-[[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid;hydrochloride
CID 169080353
5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide
CID 178030702
(3S,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 134209960
methyl 2-[1-cyclohexyl-3-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]azetidin-3-yl]acetate
CID 166021594
N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 162651161
1-O-tert-butyl 3-O-methyl (3R,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-1,3-dicarboxylate
CID 154585117

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1c(C(C)(CNC(=O)c2cc(-c3ccc(F)cc3F)on2)c2nc(C3CC3)cs2)cnn1C.
What is the InChIKey of 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?
The InChIKey is WZAHXMUKBPDDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O3S/c1-24(16-10-28-31(2)22(16)33-3,23-29-19(11-35-23)13-4-5-13)12-27-21(32)18-9-20(34-30-18)15-7-6-14(25)8-17(15)26/h6-11,13H,4-5,12H2,1-3H3,(H,27,32).
What are the key properties of 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?
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 has a molecular weight of 499.54 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178118267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).