tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate

C23H28FN3O4 — CID 73291736

IUPACtert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)[C@H](F)C1
InChIInChI=1S/C23H28FN3O4/c1-23(2,3)31-22(29)26-11-10-19(18(24)13-26)27(17-8-9-17)21(28)16-6-4-15(5-7-16)20-12-25-14-30-20/h4-7,12,14,17-19H,8-11,13H2,1-3H3/t18-,19+/m1/s1
InChIKeyAFHFFFFBCSAHRO-MOPGFXCFSA-N
MW429.49 g/mol
LogP4.29
Rot. Bonds4

About tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate

tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate (PubChem CID 73291736) has the molecular formula C23H28FN3O4 and a molecular weight of 429.49 g/mol. Its IUPAC name is tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate
PubChem CID73291736
Molecular FormulaC23H28FN3O4
Molecular Weight429.49 g/mol
Exact Mass429.21
IUPAC Nametert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)[C@H](F)C1
InChIInChI=1S/C23H28FN3O4/c1-23(2,3)31-22(29)26-11-10-19(18(24)13-26)27(17-8-9-17)21(28)16-6-4-15(5-7-16)20-12-25-14-30-20/h4-7,12,14,17-19H,8-11,13H2,1-3H3/t18-,19+/m1/s1
InChIKeyAFHFFFFBCSAHRO-MOPGFXCFSA-N
XLogP4.29
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-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 (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate (CID 73291736) is tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)[C@H](F)C1.
What is the InChIKey of tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate?
The InChIKey is AFHFFFFBCSAHRO-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H28FN3O4/c1-23(2,3)31-22(29)26-11-10-19(18(24)13-26)27(17-8-9-17)21(28)16-6-4-15(5-7-16)20-12-25-14-30-20/h4-7,12,14,17-19H,8-11,13H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate?
tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate has a molecular weight of 429.49 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 73291736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).