4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide

C24H30N4O3 — CID 140933989

IUPAC4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2(C)O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C24H30N4O3/c1-16-7-5-14-26-21(16)28(19-8-6-13-25-15-19)22(29)18-11-9-17(10-12-18)20-24(4,30)23(2,3)31-27-20/h5,7,9-12,14,19,25,30H,6,8,13,15H2,1-4H3/t19-,24?/m1/s1
InChIKeyHDLQJIHCLJTIRF-PHSANKKPSA-N
MW422.53 g/mol
LogP3.05
Rot. Bonds4

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

4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140933989) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140933989
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2(C)O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C24H30N4O3/c1-16-7-5-14-26-21(16)28(19-8-6-13-25-15-19)22(29)18-11-9-17(10-12-18)20-24(4,30)23(2,3)31-27-20/h5,7,9-12,14,19,25,30H,6,8,13,15H2,1-4H3/t19-,24?/m1/s1
InChIKeyHDLQJIHCLJTIRF-PHSANKKPSA-N
XLogP3.05
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140933989) is 4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2(C)O)cc1)[C@@H]1CCCNC1.
What is the InChIKey of 4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is HDLQJIHCLJTIRF-PHSANKKPSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-7-5-14-26-21(16)28(19-8-6-13-25-15-19)22(29)18-11-9-17(10-12-18)20-24(4,30)23(2,3)31-27-20/h5,7,9-12,14,19,25,30H,6,8,13,15H2,1-4H3/t19-,24?/m1/s1.
What are the key properties of 4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4,5,5-trimethyl-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140933989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).