tert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate

C19H25N3O3 — CID 122141699

IUPACtert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](NCc2ccon2)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)25-18(23)22-12-16(14-7-5-4-6-8-14)17(13-22)20-11-15-9-10-24-21-15/h4-10,16-17,20H,11-13H2,1-3H3/t16-,17+/m0/s1
InChIKeyNWZFFAJKBRRGPD-DLBZAZTESA-N
MW343.43 g/mol
LogP3.17
Rot. Bonds4

About tert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate

tert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate (PubChem CID 122141699) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is tert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate
PubChem CID122141699
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nametert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](NCc2ccon2)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)25-18(23)22-12-16(14-7-5-4-6-8-14)17(13-22)20-11-15-9-10-24-21-15/h4-10,16-17,20H,11-13H2,1-3H3/t16-,17+/m0/s1
InChIKeyNWZFFAJKBRRGPD-DLBZAZTESA-N
XLogP3.17
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 79489005
tert-butyl (3R,4S)-3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate
CID 98008226
tert-butyl (3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate;hydrochloride
CID 66510823
tert-butyl (3S,4R)-3-(isoquinoline-3-carbonylamino)-4-phenylpyrrolidine-1-carboxylate
CID 158900770
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate
CID 70810940
tert-butyl (3R,4S)-3-(difluoromethyl)-4-phenylpyrrolidine-1-carboxylate
CID 176768614
tert-butyl (7S)-7-(aminomethyl)-6-phenyl-1,4-oxazepane-4-carboxylate
CID 67123288
tert-butyl N-[[2-(1,2-oxazol-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103775229
tert-butyl 3-[(2-chlorophenyl)methylamino]-4-hydroxypyrrolidine-1-carboxylate
CID 75997763
tert-butyl 3-phenyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
CID 134278871
tert-butyl 3-[(benzylamino)methyl]azetidine-1-carboxylate
CID 53415255

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate (CID 122141699) is tert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](NCc2ccon2)[C@H](c2ccccc2)C1.
What is the InChIKey of tert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate?
The InChIKey is NWZFFAJKBRRGPD-DLBZAZTESA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(2,3)25-18(23)22-12-16(14-7-5-4-6-8-14)17(13-22)20-11-15-9-10-24-21-15/h4-10,16-17,20H,11-13H2,1-3H3/t16-,17+/m0/s1.
What are the key properties of tert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate?
tert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-3-(1,2-oxazol-3-ylmethylamino)-4-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 122141699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).