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

C28H28N4O3 — CID 140934015

IUPAC4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccccc3)[C@@H]3CCCNC3)cc2)C1=O
InChIInChI=1S/C28H28N4O3/c1-28(2)25(33)24(31-35-28)20-12-14-21(15-13-20)27(34)32(22-10-6-16-29-18-22)26-23(11-7-17-30-26)19-8-4-3-5-9-19/h3-5,7-9,11-15,17,22,29H,6,10,16,18H2,1-2H3/t22-/m1/s1
InChIKeySDLJJRBHKPHZEH-JOCHJYFZSA-N
MW468.56 g/mol
LogP4.23
Rot. Bonds5

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

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140934015) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140934015
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccccc3)[C@@H]3CCCNC3)cc2)C1=O
InChIInChI=1S/C28H28N4O3/c1-28(2)25(33)24(31-35-28)20-12-14-21(15-13-20)27(34)32(22-10-6-16-29-18-22)26-23(11-7-17-30-26)19-8-4-3-5-9-19/h3-5,7-9,11-15,17,22,29H,6,10,16,18H2,1-2H3/t22-/m1/s1
InChIKeySDLJJRBHKPHZEH-JOCHJYFZSA-N
XLogP4.23
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.23
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-phenyl-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-phenyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140934015) is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-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-phenyl-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-phenyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccccc3)[C@@H]3CCCNC3)cc2)C1=O.
What is the InChIKey of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is SDLJJRBHKPHZEH-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-28(2)25(33)24(31-35-28)20-12-14-21(15-13-20)27(34)32(22-10-6-16-29-18-22)26-23(11-7-17-30-26)19-8-4-3-5-9-19/h3-5,7-9,11-15,17,22,29H,6,10,16,18H2,1-2H3/t22-/m1/s1.
What are the key properties of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 468.56 g/mol, XLogP of 4.23, 5 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-phenyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140934015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).