prop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate

C22H25N3O4 — CID 73388222

IUPACprop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESC=C(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)CC1
InChIInChI=1S/C22H25N3O4/c1-15(2)29-22(27)24-11-9-19(10-12-24)25(18-7-8-18)21(26)17-5-3-16(4-6-17)20-13-23-14-28-20/h3-6,13-14,18-19H,1,7-12H2,2H3
InChIKeyUCVMZHICTSFMRG-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.08
Rot. Bonds5

About prop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate

prop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 73388222) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is prop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID73388222
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nameprop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESC=C(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)CC1
InChIInChI=1S/C22H25N3O4/c1-15(2)29-22(27)24-11-9-19(10-12-24)25(18-7-8-18)21(26)17-5-3-16(4-6-17)20-13-23-14-28-20/h3-6,13-14,18-19H,1,7-12H2,2H3
InChIKeyUCVMZHICTSFMRG-UHFFFAOYSA-N
XLogP4.08
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of prop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate (CID 73388222) is prop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for prop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for prop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate is C=C(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)CC1.
What is the InChIKey of prop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is UCVMZHICTSFMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15(2)29-22(27)24-11-9-19(10-12-24)25(18-7-8-18)21(26)17-5-3-16(4-6-17)20-13-23-14-28-20/h3-6,13-14,18-19H,1,7-12H2,2H3.
What are the key properties of prop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
prop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 73388222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).