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

C21H23ClFN3O4 — CID 53168417

IUPAC(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCc1oc(C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C21H23ClFN3O4/c1-13-18(21(28)26-8-10-29-11-9-26)24-19(30-13)14-4-6-25(7-5-14)20(27)16-12-15(23)2-3-17(16)22/h2-3,12,14H,4-11H2,1H3
InChIKeyHMOVUXXUUAQWQS-UHFFFAOYSA-N
MW435.88 g/mol
LogP3.27
Rot. Bonds3

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

(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 53168417) has the molecular formula C21H23ClFN3O4 and a molecular weight of 435.88 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID53168417
Molecular FormulaC21H23ClFN3O4
Molecular Weight435.88 g/mol
Exact Mass435.14
IUPAC Name(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCc1oc(C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C21H23ClFN3O4/c1-13-18(21(28)26-8-10-29-11-9-26)24-19(30-13)14-4-6-25(7-5-14)20(27)16-12-15(23)2-3-17(16)22/h2-3,12,14H,4-11H2,1H3
InChIKeyHMOVUXXUUAQWQS-UHFFFAOYSA-N
XLogP3.27
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.88
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 53168372
(2,5-difluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837682
(3-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837668
(2,5-difluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837787
N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 71837590
(2,4-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837736
N-(2-chloro-4-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 71837596
2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 53168435
(3,5-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837745
[2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 71837505
N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168491
2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 71837810

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 53168417) is (2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is Cc1oc(C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)nc1C(=O)N1CCOCC1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is HMOVUXXUUAQWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O4/c1-13-18(21(28)26-8-10-29-11-9-26)24-19(30-13)14-4-6-25(7-5-14)20(27)16-12-15(23)2-3-17(16)22/h2-3,12,14H,4-11H2,1H3.
What are the key properties of (2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 435.88 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 53168417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).