N-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

C21H23F4N3O2 — CID 162650893

IUPACN-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(C2CCCCC2)CC1(F)F)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C21H23F4N3O2/c22-13-6-7-15(16(23)10-13)18-11-17(27-30-18)20(29)26-19-8-9-28(12-21(19,24)25)14-4-2-1-3-5-14/h6-7,10-11,14,19H,1-5,8-9,12H2,(H,26,29)/t19-/m0/s1
InChIKeyYEVQQEZVYANVBI-IBGZPJMESA-N
MW425.43 g/mol
LogP4.39
Rot. Bonds4

About N-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

N-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 162650893) has the molecular formula C21H23F4N3O2 and a molecular weight of 425.43 g/mol. Its IUPAC name is N-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID162650893
Molecular FormulaC21H23F4N3O2
Molecular Weight425.43 g/mol
Exact Mass425.17
IUPAC NameN-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(C2CCCCC2)CC1(F)F)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C21H23F4N3O2/c22-13-6-7-15(16(23)10-13)18-11-17(27-30-18)20(29)26-19-8-9-28(12-21(19,24)25)14-4-2-1-3-5-14/h6-7,10-11,14,19H,1-5,8-9,12H2,(H,26,29)/t19-/m0/s1
InChIKeyYEVQQEZVYANVBI-IBGZPJMESA-N
XLogP4.39
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (CID 162650893) is N-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is O=C(N[C@H]1CCN(C2CCCCC2)CC1(F)F)c1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of N-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YEVQQEZVYANVBI-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23F4N3O2/c22-13-6-7-15(16(23)10-13)18-11-17(27-30-18)20(29)26-19-8-9-28(12-21(19,24)25)14-4-2-1-3-5-14/h6-7,10-11,14,19H,1-5,8-9,12H2,(H,26,29)/t19-/m0/s1.
What are the key properties of N-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
N-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 425.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-cyclohexyl-3,3-difluoropiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162650893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).