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

C22H23FN4O3 — CID 140933916

IUPAC4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3F)[C@@H]3CCCNC3)cc2)C1=O
InChIInChI=1S/C22H23FN4O3/c1-22(2)19(28)18(26-30-22)14-7-9-15(10-8-14)21(29)27(16-5-3-11-24-13-16)20-17(23)6-4-12-25-20/h4,6-10,12,16,24H,3,5,11,13H2,1-2H3/t16-/m1/s1
InChIKeyIRVDWUIWFRTGAG-MRXNPFEDSA-N
MW410.45 g/mol
LogP2.70
Rot. Bonds4

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

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140933916) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140933916
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3F)[C@@H]3CCCNC3)cc2)C1=O
InChIInChI=1S/C22H23FN4O3/c1-22(2)19(28)18(26-30-22)14-7-9-15(10-8-14)21(29)27(16-5-3-11-24-13-16)20-17(23)6-4-12-25-20/h4,6-10,12,16,24H,3,5,11,13H2,1-2H3/t16-/m1/s1
InChIKeyIRVDWUIWFRTGAG-MRXNPFEDSA-N
XLogP2.70
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.70
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-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140933916) is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-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-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3F)[C@@H]3CCCNC3)cc2)C1=O.
What is the InChIKey of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is IRVDWUIWFRTGAG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-22(2)19(28)18(26-30-22)14-7-9-15(10-8-14)21(29)27(16-5-3-11-24-13-16)20-17(23)6-4-12-25-20/h4,6-10,12,16,24H,3,5,11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 410.45 g/mol, XLogP of 2.70, 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-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140933916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).