tert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate

C28H33N3O4 — CID 67439696

IUPACtert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate
SMILESCCc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C28H33N3O4/c1-5-23-24(30-26(34-23)21-9-7-6-8-10-21)25(32)29-22-13-11-19(12-14-22)20-15-17-31(18-16-20)27(33)35-28(2,3)4/h6-14,20H,5,15-18H2,1-4H3,(H,29,32)
InChIKeyNIDGOBZYDGALIM-UHFFFAOYSA-N
MW475.59 g/mol
LogP6.27
Rot. Bonds5

About tert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate

tert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate (PubChem CID 67439696) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is tert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate
PubChem CID67439696
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Nametert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate
SMILESCCc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C28H33N3O4/c1-5-23-24(30-26(34-23)21-9-7-6-8-10-21)25(32)29-22-13-11-19(12-14-22)20-15-17-31(18-16-20)27(33)35-28(2,3)4/h6-14,20H,5,15-18H2,1-4H3,(H,29,32)
InChIKeyNIDGOBZYDGALIM-UHFFFAOYSA-N
XLogP6.27
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 52936954
tert-butyl 4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]piperidine-1-carboxylate
CID 144572137
5-ethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 57401961
tert-butyl 4-[4-[(3-ethoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxylate
CID 69452252
tert-butyl 4-[4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]piperidine-1-carboxylate
CID 171824216
tert-butyl (3R)-3-[4-(phenoxycarbonylamino)phenyl]pyrrolidine-1-carboxylate
CID 175718295
tert-butyl (3S)-3-[4-(phenoxycarbonylamino)phenyl]pyrrolidine-1-carboxylate
CID 67238679
tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate
CID 58315636
tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373103
tert-butyl 4-[4-[acetyl(benzyl)amino]phenyl]piperidine-1-carboxylate
CID 22179851
tert-butyl 3-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-1-carboxylate
CID 66705849
tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
CID 58547634

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate (CID 67439696) is tert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate is CCc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate?
The InChIKey is NIDGOBZYDGALIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-5-23-24(30-26(34-23)21-9-7-6-8-10-21)25(32)29-22-13-11-19(12-14-22)20-15-17-31(18-16-20)27(33)35-28(2,3)4/h6-14,20H,5,15-18H2,1-4H3,(H,29,32).
What are the key properties of tert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate?
tert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate has a molecular weight of 475.59 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[(5-ethyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 67439696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).