tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate

C24H31N3O4 — CID 118947483

IUPACtert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(C3CC3)on2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H31N3O4/c1-24(2,3)30-23(29)27-12-11-18(14-19(27)13-16-7-5-4-6-8-16)25-22(28)20-15-21(31-26-20)17-9-10-17/h4-8,15,17-19H,9-14H2,1-3H3,(H,25,28)/t18-,19-/m0/s1
InChIKeyRKJQOGDGGJZXSE-OALUTQOASA-N
MW425.53 g/mol
LogP4.29
Rot. Bonds5

About tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate

tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 118947483) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID118947483
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Nametert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(C3CC3)on2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H31N3O4/c1-24(2,3)30-23(29)27-12-11-18(14-19(27)13-16-7-5-4-6-8-16)25-22(28)20-15-21(31-26-20)17-9-10-17/h4-8,15,17-19H,9-14H2,1-3H3,(H,25,28)/t18-,19-/m0/s1
InChIKeyRKJQOGDGGJZXSE-OALUTQOASA-N
XLogP4.29
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-[1-(3-aminopropylsulfanyl)-2-benzylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040339
N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040386
N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 122140778
tert-butyl (1S,5R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 118947354
tert-butyl (5R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 159414061
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
2-[(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidin-2-yl]acetic acid
CID 161203403
tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate
CID 118947331
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
5-cyclopropyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
CID 32581167
tert-butyl N-[(2R)-4-[[(3R,4S)-3-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]cyclohexylidene]amino]-4-oxobutan-2-yl]carbamate
CID 145039938

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate (CID 118947483) is tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(C3CC3)on2)C[C@@H]1Cc1ccccc1.
What is the InChIKey of tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is RKJQOGDGGJZXSE-OALUTQOASA-N. The full InChI is InChI=1S/C24H31N3O4/c1-24(2,3)30-23(29)27-12-11-18(14-19(27)13-16-7-5-4-6-8-16)25-22(28)20-15-21(31-26-20)17-9-10-17/h4-8,15,17-19H,9-14H2,1-3H3,(H,25,28)/t18-,19-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate?
tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 425.53 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 118947483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).