tert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate

C23H29N3O4 — CID 90001549

IUPACtert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccno3)cc2)C2CC2)CC1
InChIInChI=1S/C23H29N3O4/c1-23(2,3)29-22(28)25-14-11-19(12-15-25)26(18-8-9-18)21(27)17-6-4-16(5-7-17)20-10-13-24-30-20/h4-7,10,13,18-19H,8-9,11-12,14-15H2,1-3H3
InChIKeyNWWLXYYZSGXACH-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.35
Rot. Bonds4

About tert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate

tert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 90001549) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is tert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID90001549
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Nametert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccno3)cc2)C2CC2)CC1
InChIInChI=1S/C23H29N3O4/c1-23(2,3)29-22(28)25-14-11-19(12-15-25)26(18-8-9-18)21(27)17-6-4-16(5-7-17)20-10-13-24-30-20/h4-7,10,13,18-19H,8-9,11-12,14-15H2,1-3H3
InChIKeyNWWLXYYZSGXACH-UHFFFAOYSA-N
XLogP4.35
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate (CID 90001549) is tert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccno3)cc2)C2CC2)CC1.
What is the InChIKey of tert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is NWWLXYYZSGXACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-23(2,3)29-22(28)25-14-11-19(12-15-25)26(18-8-9-18)21(27)17-6-4-16(5-7-17)20-10-13-24-30-20/h4-7,10,13,18-19H,8-9,11-12,14-15H2,1-3H3.
What are the key properties of tert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 411.50 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[cyclopropyl-[4-(1,2-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 90001549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).