5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

C24H24F2N6O3 — CID 145450383

IUPAC5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCN1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](C(=O)NC2(c3ncccn3)CC2)C1
InChIInChI=1S/C24H24F2N6O3/c1-32-10-5-18(16(13-32)21(33)30-24(6-7-24)23-27-8-2-9-28-23)29-22(34)19-12-20(35-31-19)15-4-3-14(25)11-17(15)26/h2-4,8-9,11-12,16,18H,5-7,10,13H2,1H3,(H,29,34)(H,30,33)/t16-,18-/m0/s1
InChIKeyJFCQFCHQYIWEAN-WMZOPIPTSA-N
MW482.49 g/mol
LogP2.27
Rot. Bonds6

About 5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 145450383) has the molecular formula C24H24F2N6O3 and a molecular weight of 482.49 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID145450383
Molecular FormulaC24H24F2N6O3
Molecular Weight482.49 g/mol
Exact Mass482.19
IUPAC Name5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCN1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](C(=O)NC2(c3ncccn3)CC2)C1
InChIInChI=1S/C24H24F2N6O3/c1-32-10-5-18(16(13-32)21(33)30-24(6-7-24)23-27-8-2-9-28-23)29-22(34)19-12-20(35-31-19)15-4-3-14(25)11-17(15)26/h2-4,8-9,11-12,16,18H,5-7,10,13H2,1H3,(H,29,34)(H,30,33)/t16-,18-/m0/s1
InChIKeyJFCQFCHQYIWEAN-WMZOPIPTSA-N
XLogP2.27
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

Canverixin
CID 139360137
6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329532
N-[(3S,4S)-1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678041
N-[(3S,4S)-1-(cyclobutylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678076
N-[(3S,4S)-1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678177
Hdac-IN-26
CID 146317294
US12331044, Example 59
CID 155925379
6-cyclopropyl-N-(5-phenyl-1,2-oxazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329533
6-cyclopropyl-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329883
N1-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]acetamide
CID 2745719
N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962284
2-Pyrimidinamine, N-cyclohexyl-4-[3-phenyl-5-(1-piperidinylmethyl)-4-isoxazolyl]-
CID 10093433

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 145450383) is 5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is CN1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](C(=O)NC2(c3ncccn3)CC2)C1.
What is the InChIKey of 5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is JFCQFCHQYIWEAN-WMZOPIPTSA-N. The full InChI is InChI=1S/C24H24F2N6O3/c1-32-10-5-18(16(13-32)21(33)30-24(6-7-24)23-27-8-2-9-28-23)29-22(34)19-12-20(35-31-19)15-4-3-14(25)11-17(15)26/h2-4,8-9,11-12,16,18H,5-7,10,13H2,1H3,(H,29,34)(H,30,33)/t16-,18-/m0/s1.
What are the key properties of 5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 482.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-N-[(3S,4S)-1-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145450383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).