N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide

C24H33N3O4 — CID 66883787

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1onc(NC(=O)N2CCC(=Cc3cccc(OCCOC(C)C)c3)C(C)C2)c1C
InChIInChI=1S/C24H33N3O4/c1-16(2)29-11-12-30-22-8-6-7-20(14-22)13-21-9-10-27(15-17(21)3)24(28)25-23-18(4)19(5)31-26-23/h6-8,13-14,16-17H,9-12,15H2,1-5H3,(H,25,26,28)
InChIKeyAIHZJZRLSINEBV-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.05
Rot. Bonds7

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66883787) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide
PubChem CID66883787
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1onc(NC(=O)N2CCC(=Cc3cccc(OCCOC(C)C)c3)C(C)C2)c1C
InChIInChI=1S/C24H33N3O4/c1-16(2)29-11-12-30-22-8-6-7-20(14-22)13-21-9-10-27(15-17(21)3)24(28)25-23-18(4)19(5)31-26-23/h6-8,13-14,16-17H,9-12,15H2,1-5H3,(H,25,26,28)
InChIKeyAIHZJZRLSINEBV-UHFFFAOYSA-N
XLogP5.05
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide (CID 66883787) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide is Cc1onc(NC(=O)N2CCC(=Cc3cccc(OCCOC(C)C)c3)C(C)C2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is AIHZJZRLSINEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-16(2)29-11-12-30-22-8-6-7-20(14-22)13-21-9-10-27(15-17(21)3)24(28)25-23-18(4)19(5)31-26-23/h6-8,13-14,16-17H,9-12,15H2,1-5H3,(H,25,26,28).
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66883787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).