N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide

C28H24FN5O3 — CID 66895805

IUPACN-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cc(C3=NOC(O)(c4ccccn4)C3)c2)nc1
InChIInChI=1S/C28H24FN5O3/c1-17-6-8-24(31-15-17)19-11-20(25-14-28(36,37-34-25)26-5-3-4-10-30-26)13-21(12-19)27(35)33-18(2)23-9-7-22(29)16-32-23/h3-13,15-16,18,36H,14H2,1-2H3,(H,33,35)/t18-,28?/m1/s1
InChIKeyRCNKINGXRNMNQE-KUFXBUICSA-N
MW497.53 g/mol
LogP4.45
Rot. Bonds6

About N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide

N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide (PubChem CID 66895805) has the molecular formula C28H24FN5O3 and a molecular weight of 497.53 g/mol. Its IUPAC name is N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide
PubChem CID66895805
Molecular FormulaC28H24FN5O3
Molecular Weight497.53 g/mol
Exact Mass497.19
IUPAC NameN-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cc(C3=NOC(O)(c4ccccn4)C3)c2)nc1
InChIInChI=1S/C28H24FN5O3/c1-17-6-8-24(31-15-17)19-11-20(25-14-28(36,37-34-25)26-5-3-4-10-30-26)13-21(12-19)27(35)33-18(2)23-9-7-22(29)16-32-23/h3-13,15-16,18,36H,14H2,1-2H3,(H,33,35)/t18-,28?/m1/s1
InChIKeyRCNKINGXRNMNQE-KUFXBUICSA-N
XLogP4.45
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide (CID 66895805) is N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cc(C3=NOC(O)(c4ccccn4)C3)c2)nc1.
What is the InChIKey of N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is RCNKINGXRNMNQE-KUFXBUICSA-N. The full InChI is InChI=1S/C28H24FN5O3/c1-17-6-8-24(31-15-17)19-11-20(25-14-28(36,37-34-25)26-5-3-4-10-30-26)13-21(12-19)27(35)33-18(2)23-9-7-22(29)16-32-23/h3-13,15-16,18,36H,14H2,1-2H3,(H,33,35)/t18-,28?/m1/s1.
What are the key properties of N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide?
N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 497.53 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-hydroxy-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)-5-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 66895805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).