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

C23H25FN4O3 — CID 140933923

IUPAC4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1F)[C@@H]1CCCNC1
InChIInChI=1S/C23H25FN4O3/c1-14-6-4-11-26-21(14)28(16-7-5-10-25-13-16)22(30)17-9-8-15(12-18(17)24)19-20(29)23(2,3)31-27-19/h4,6,8-9,11-12,16,25H,5,7,10,13H2,1-3H3/t16-/m1/s1
InChIKeyLWIRGFXOFUCBLF-MRXNPFEDSA-N
MW424.48 g/mol
LogP3.01
Rot. Bonds4

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

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140933923) 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)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140933923
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1F)[C@@H]1CCCNC1
InChIInChI=1S/C23H25FN4O3/c1-14-6-4-11-26-21(14)28(16-7-5-10-25-13-16)22(30)17-9-8-15(12-18(17)24)19-20(29)23(2,3)31-27-19/h4,6,8-9,11-12,16,25H,5,7,10,13H2,1-3H3/t16-/m1/s1
InChIKeyLWIRGFXOFUCBLF-MRXNPFEDSA-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

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

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Launch Full Analysis

Related Compounds

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 140933909
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide
CID 140934009
N-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 140933927
2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide
CID 146279893
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532663
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl(piperidin-3-yl)amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 158405797
(NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine
CID 172973603
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533003
2-fluoro-4-(hydroxymethyl)-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533421
2-fluoro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 172533693
N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533107
2-fluoro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-[1-(trideuteriomethyl)triazol-4-yl]benzamide
CID 172532539

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(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)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140933923) is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(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)-2-fluoro-N-(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)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1F)[C@@H]1CCCNC1.
What is the InChIKey of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is LWIRGFXOFUCBLF-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-14-6-4-11-26-21(14)28(16-7-5-10-25-13-16)22(30)17-9-8-15(12-18(17)24)19-20(29)23(2,3)31-27-19/h4,6,8-9,11-12,16,25H,5,7,10,13H2,1-3H3/t16-/m1/s1.
What are the key properties of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(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)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140933923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).