4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide

C23H25FN4O3 — CID 140933986

IUPAC4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cc(F)cnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C23H25FN4O3/c1-14-11-17(24)12-26-21(14)28(18-5-4-10-25-13-18)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19/h6-9,11-12,18,25H,4-5,10,13H2,1-3H3/t18-/m1/s1
InChIKeyQHBNIBIURIUUQS-GOSISDBHSA-N
MW424.48 g/mol
LogP3.01
Rot. Bonds4

About 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140933986) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140933986
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cc(F)cnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C23H25FN4O3/c1-14-11-17(24)12-26-21(14)28(18-5-4-10-25-13-18)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19/h6-9,11-12,18,25H,4-5,10,13H2,1-3H3/t18-/m1/s1
InChIKeyQHBNIBIURIUUQS-GOSISDBHSA-N
XLogP3.01
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140933986) is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is Cc1cc(F)cnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.
What is the InChIKey of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is QHBNIBIURIUUQS-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-14-11-17(24)12-26-21(14)28(18-5-4-10-25-13-18)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19/h6-9,11-12,18,25H,4-5,10,13H2,1-3H3/t18-/m1/s1.
What are the key properties of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 424.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140933986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).