propan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate

C23H28F2N4O4 — CID 123736234

IUPACpropan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(ONC2=CCN(c3cc(F)c(-c4cnco4)cc3F)CC2)CC1
InChIInChI=1S/C23H28F2N4O4/c1-15(2)32-23(30)29-9-5-17(6-10-29)33-27-16-3-7-28(8-4-16)21-12-19(24)18(11-20(21)25)22-13-26-14-31-22/h3,11-15,17,27H,4-10H2,1-2H3
InChIKeyRKDYGKQLVFEEPJ-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.24
Rot. Bonds6

About propan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate

propan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate (PubChem CID 123736234) has the molecular formula C23H28F2N4O4 and a molecular weight of 462.50 g/mol. Its IUPAC name is propan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate
PubChem CID123736234
Molecular FormulaC23H28F2N4O4
Molecular Weight462.50 g/mol
Exact Mass462.21
IUPAC Namepropan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(ONC2=CCN(c3cc(F)c(-c4cnco4)cc3F)CC2)CC1
InChIInChI=1S/C23H28F2N4O4/c1-15(2)32-23(30)29-9-5-17(6-10-29)33-27-16-3-7-28(8-4-16)21-12-19(24)18(11-20(21)25)22-13-26-14-31-22/h3,11-15,17,27H,4-10H2,1-2H3
InChIKeyRKDYGKQLVFEEPJ-UHFFFAOYSA-N
XLogP4.24
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze propan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-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

propan-2-yl 4-[[1-(3-fluoro-5-methylsulfonyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate
CID 123592955
tert-butyl 4-[[1-(4-bromo-2,5-difluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate
CID 91420278
2-[4-[(1-propan-2-yloxycarbonylpiperidin-4-yl)oxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 123780052
propan-2-yl 4-[[1-[4-(1-aminoethyl)-2,5-difluorophenyl]piperidin-4-ylidene]amino]oxypiperidine-1-carboxylate
CID 76764749
propan-2-yl 4-[[1-[2,5-difluoro-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]piperidin-4-ylidene]amino]oxypiperidine-1-carboxylate
CID 58333589
molecular hydrogen;propan-2-yl 4-[[1-[2,5-difluoro-4-(methanesulfonamido)phenyl]piperidin-4-ylidene]amino]oxypiperidine-1-carboxylate
CID 159205040
propan-2-yl 4-[[1-[4-[2-[dimethylamino(ethyl)amino]-2-oxoethyl]-2,5-difluorophenyl]piperidin-4-ylidene]amino]oxypiperidine-1-carboxylate
CID 87350040
propan-2-yl 4-[[7-(2,5-difluoro-4-methylsulfinylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
CID 68843092
propan-2-yl 4-[1-(2-fluoro-4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57496329
propan-2-yl 4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate
CID 58735262
propan-2-yl 4-[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67540981
propan-2-yl 4-[5-cyclopropyl-6-(2-fluoro-4-methylsulfinylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 143023173

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate (CID 123736234) is propan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate is CC(C)OC(=O)N1CCC(ONC2=CCN(c3cc(F)c(-c4cnco4)cc3F)CC2)CC1.
What is the InChIKey of propan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate?
The InChIKey is RKDYGKQLVFEEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O4/c1-15(2)32-23(30)29-9-5-17(6-10-29)33-27-16-3-7-28(8-4-16)21-12-19(24)18(11-20(21)25)22-13-26-14-31-22/h3,11-15,17,27H,4-10H2,1-2H3.
What are the key properties of propan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate?
propan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate has a molecular weight of 462.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[1-[2,5-difluoro-4-(1,3-oxazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate is sourced from PubChem (CID 123736234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).