tert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate

C30H34F2N4O5 — CID 134209932

IUPACtert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate
SMILESCN(CCc1ccccc1)C(=O)C1CN(C(=O)OC(C)(C)C)CCC1NC(=O)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C30H34F2N4O5/c1-30(2,3)40-29(39)36-15-13-24(22(18-36)28(38)35(4)14-12-19-8-6-5-7-9-19)33-27(37)25-17-26(41-34-25)21-11-10-20(31)16-23(21)32/h5-11,16-17,22,24H,12-15,18H2,1-4H3,(H,33,37)
InChIKeyLJNIGPULYYSWQW-UHFFFAOYSA-N
MW568.62 g/mol
LogP4.68
Rot. Bonds7

About tert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 134209932) has the molecular formula C30H34F2N4O5 and a molecular weight of 568.62 g/mol. Its IUPAC name is tert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate
PubChem CID134209932
Molecular FormulaC30H34F2N4O5
Molecular Weight568.62 g/mol
Exact Mass568.25
IUPAC Nametert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate
SMILESCN(CCc1ccccc1)C(=O)C1CN(C(=O)OC(C)(C)C)CCC1NC(=O)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C30H34F2N4O5/c1-30(2,3)40-29(39)36-15-13-24(22(18-36)28(38)35(4)14-12-19-8-6-5-7-9-19)33-27(37)25-17-26(41-34-25)21-11-10-20(31)16-23(21)32/h5-11,16-17,22,24H,12-15,18H2,1-4H3,(H,33,37)
InChIKeyLJNIGPULYYSWQW-UHFFFAOYSA-N
XLogP4.68
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.62
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]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

Related Compounds

1-O-tert-butyl 3-O-methyl (3R,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-1,3-dicarboxylate
CID 154585117
N-[(3R,4R)-1-cyclohexyl-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 138676097
5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 138676117
tert-butyl (3R,4R)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[[(1R)-1-(1-oxidopyridin-1-ium-2-yl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 150292251
(3S,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 134209960
5-(2,4-difluorophenyl)-N-[(3R,4R)-3-(dimethylcarbamoyl)-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 138676410
(3R,4R)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-[(1S,2R)-2-methylcyclopentyl]piperidine-3-carboxylic acid
CID 151912713
(3S,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-(2-methylpropyl)piperidine-3-carboxylic acid
CID 134210401
methyl (3S,4S)-1-cyclobutyl-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate
CID 134209318
4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-hexan-3-ylpiperidine-3-carboxylic acid
CID 174979526
(3S,4S)-1-[(1R)-1-cyclopropylethyl]-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid
CID 156757588
tert-butyl (3S,4S)-4-[[5-(2,4-difluorophenyl)-1,3-oxazole-2-carbonyl]amino]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidine-1-carboxylate
CID 134211564

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate (CID 134209932) is tert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate is CN(CCc1ccccc1)C(=O)C1CN(C(=O)OC(C)(C)C)CCC1NC(=O)c1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of tert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is LJNIGPULYYSWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F2N4O5/c1-30(2,3)40-29(39)36-15-13-24(22(18-36)28(38)35(4)14-12-19-8-6-5-7-9-19)33-27(37)25-17-26(41-34-25)21-11-10-20(31)16-23(21)32/h5-11,16-17,22,24H,12-15,18H2,1-4H3,(H,33,37).
What are the key properties of tert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 568.62 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-[methyl(2-phenylethyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 134209932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).