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

C21H24F2N4O4 — CID 71837551

IUPACN-(2,4-difluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C21H24F2N4O4/c1-13-18(20(28)26-8-10-30-11-9-26)25-19(31-13)14-4-6-27(7-5-14)21(29)24-17-3-2-15(22)12-16(17)23/h2-3,12,14H,4-11H2,1H3,(H,24,29)
InChIKeyLMNATKOJWVXMHY-UHFFFAOYSA-N
MW434.44 g/mol
LogP3.15
Rot. Bonds3

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

N-(2,4-difluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 71837551) has the molecular formula C21H24F2N4O4 and a molecular weight of 434.44 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID71837551
Molecular FormulaC21H24F2N4O4
Molecular Weight434.44 g/mol
Exact Mass434.18
IUPAC NameN-(2,4-difluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCc1oc(C2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C21H24F2N4O4/c1-13-18(20(28)26-8-10-30-11-9-26)25-19(31-13)14-4-6-27(7-5-14)21(29)24-17-3-2-15(22)12-16(17)23/h2-3,12,14H,4-11H2,1H3,(H,24,29)
InChIKeyLMNATKOJWVXMHY-UHFFFAOYSA-N
XLogP3.15
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 71837551) is N-(2,4-difluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is Cc1oc(C2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc1C(=O)N1CCOCC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is LMNATKOJWVXMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O4/c1-13-18(20(28)26-8-10-30-11-9-26)25-19(31-13)14-4-6-27(7-5-14)21(29)24-17-3-2-15(22)12-16(17)23/h2-3,12,14H,4-11H2,1H3,(H,24,29).
What are the key properties of N-(2,4-difluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(2,4-difluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 434.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71837551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).