N-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide

C22H26ClFN4O3 — CID 53168490

IUPACN-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3ccc(Cl)cc3F)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C22H26ClFN4O3/c1-14-19(21(29)27-9-3-2-4-10-27)26-20(31-14)15-7-11-28(12-8-15)22(30)25-18-6-5-16(23)13-17(18)24/h5-6,13,15H,2-4,7-12H2,1H3,(H,25,30)
InChIKeyRXULUWVXMYJTNF-UHFFFAOYSA-N
MW448.93 g/mol
LogP4.81
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide

N-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 53168490) has the molecular formula C22H26ClFN4O3 and a molecular weight of 448.93 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID53168490
Molecular FormulaC22H26ClFN4O3
Molecular Weight448.93 g/mol
Exact Mass448.17
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3ccc(Cl)cc3F)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C22H26ClFN4O3/c1-14-19(21(29)27-9-3-2-4-10-27)26-20(31-14)15-7-11-28(12-8-15)22(30)25-18-6-5-16(23)13-17(18)24/h5-6,13,15H,2-4,7-12H2,1H3,(H,25,30)
InChIKeyRXULUWVXMYJTNF-UHFFFAOYSA-N
XLogP4.81
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 53168490) is N-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is Cc1oc(C2CCN(C(=O)Nc3ccc(Cl)cc3F)CC2)nc1C(=O)N1CCCCC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is RXULUWVXMYJTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN4O3/c1-14-19(21(29)27-9-3-2-4-10-27)26-20(31-14)15-7-11-28(12-8-15)22(30)25-18-6-5-16(23)13-17(18)24/h5-6,13,15H,2-4,7-12H2,1H3,(H,25,30).
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 448.93 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53168490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).