(2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C20H23ClN4O4 — CID 71837686

IUPAC(2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCc1oc(C2CCN(C(=O)c3cccnc3Cl)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C20H23ClN4O4/c1-13-16(20(27)25-9-11-28-12-10-25)23-18(29-13)14-4-7-24(8-5-14)19(26)15-3-2-6-22-17(15)21/h2-3,6,14H,4-5,7-12H2,1H3
InChIKeyCFLAEHFZNLNUGL-UHFFFAOYSA-N
MW418.88 g/mol
LogP2.52
Rot. Bonds3

About (2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

(2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 71837686) has the molecular formula C20H23ClN4O4 and a molecular weight of 418.88 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID71837686
Molecular FormulaC20H23ClN4O4
Molecular Weight418.88 g/mol
Exact Mass418.14
IUPAC Name(2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCc1oc(C2CCN(C(=O)c3cccnc3Cl)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C20H23ClN4O4/c1-13-16(20(27)25-9-11-28-12-10-25)23-18(29-13)14-4-7-24(8-5-14)19(26)15-3-2-6-22-17(15)21/h2-3,6,14H,4-5,7-12H2,1H3
InChIKeyCFLAEHFZNLNUGL-UHFFFAOYSA-N
XLogP2.52
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

2,5-dimethyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 117609598
3-{4-[5-Methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carbonyl}-2-(methylsulfanyl)pyridine
CID 53168359
{5-Methyl-2-[1-(3-pyridylcarbonyl)-4-piperidyl]-1,3-oxazol-4-YL}(piperidino)methanone
CID 53168392
4-{[5-Methyl-2-(1-{[2-(methylthio)pyridin-3-yl]carbonyl}piperidin-4-yl)-1,3-oxazol-4-yl]carbonyl}morpholine
CID 53168408
4-{[2-(1-Isonicotinoylpiperidin-4-yl)-5-methyl-1,3-oxazol-4-yl]carbonyl}morpholine
CID 53168410
4-(5-Methyl-2-{1-[2-(methylsulfanyl)pyridine-3-carbonyl]piperidin-4-YL}-1,3-oxazole-4-carbonyl)thiomorpholine
CID 53168425
4-{5-Methyl-2-[1-(pyridine-4-carbonyl)piperidin-4-YL]-1,3-oxazole-4-carbonyl}thiomorpholine
CID 53168428
4-{5-Methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-YL]-1,3-oxazole-4-carbonyl}thiomorpholine
CID 53168430
{5-Methyl-2-[1-(2-pyridylcarbonyl)-4-piperidyl]-1,3-oxazol-4-YL}(morpholino)methanone
CID 71837673
(6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96573795
4-[2-(1-{1-[(4-Fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}piperidin-4-YL)-5-methyl-1,3-oxazole-4-carbonyl]morpholine
CID 124041077
2-(tetrahydro-2H-pyran-4-yl)-5-{[6-(trifluoromethyl)-3-pyridinyl]carbonyl}-4,5,6,7-tetrahydro[1,3]oxazolo[4,5-c]pyridine
CID 169417547

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 71837686) is (2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is Cc1oc(C2CCN(C(=O)c3cccnc3Cl)CC2)nc1C(=O)N1CCOCC1.
What is the InChIKey of (2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is CFLAEHFZNLNUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O4/c1-13-16(20(27)25-9-11-28-12-10-25)23-18(29-13)14-4-7-24(8-5-14)19(26)15-3-2-6-22-17(15)21/h2-3,6,14H,4-5,7-12H2,1H3.
What are the key properties of (2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
(2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 418.88 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71837686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).