tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol

C23H33ClN4O5 — CID 171660536

IUPACtert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol
SMILESCC(C)(C)OC(=O)N1CCC(c2ncc(-c3cc(N)ncc3Cl)o2)CC1.OC1CCCOC1
InChIInChI=1S/C18H23ClN4O3.C5H10O2/c1-18(2,3)26-17(24)23-6-4-11(5-7-23)16-22-10-14(25-16)12-8-15(20)21-9-13(12)19;6-5-2-1-3-7-4-5/h8-11H,4-7H2,1-3H3,(H2,20,21);5-6H,1-4H2
InChIKeyHVIJGKRSTWREEY-UHFFFAOYSA-N
MW480.99 g/mol
LogP4.24
Rot. Bonds2

About tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol

tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol (PubChem CID 171660536) has the molecular formula C23H33ClN4O5 and a molecular weight of 480.99 g/mol. Its IUPAC name is tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol.

Molecular Properties

Compound Nametert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol
PubChem CID171660536
Molecular FormulaC23H33ClN4O5
Molecular Weight480.99 g/mol
Exact Mass480.21
IUPAC Nametert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol
SMILESCC(C)(C)OC(=O)N1CCC(c2ncc(-c3cc(N)ncc3Cl)o2)CC1.OC1CCCOC1
InChIInChI=1S/C18H23ClN4O3.C5H10O2/c1-18(2,3)26-17(24)23-6-4-11(5-7-23)16-22-10-14(25-16)12-8-15(20)21-9-13(12)19;6-5-2-1-3-7-4-5/h8-11H,4-7H2,1-3H3,(H2,20,21);5-6H,1-4H2
InChIKeyHVIJGKRSTWREEY-UHFFFAOYSA-N
XLogP4.24
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.99
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[5-(2,5-dichloropyrimidin-4-yl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
CID 171661211
tert-butyl 4-[(2-amino-5-chloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 170715808
tert-butyl 3-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 71250559
tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 95566122
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
tert-butyl (4R)-4-(1,3-oxazol-2-yl)azepane-1-carboxylate
CID 170903655
tert-butyl 4-(3-amino-5,6-dichloro-2-pyridinyl)piperidine-1-carboxylate
CID 87421836
tert-butyl 4-[2-(hydroxymethyl)-1,3-oxazol-5-yl]piperidine-1-carboxylate
CID 115051908
tert-butyl 4-(2-chlorofuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate
CID 86674884
tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787
tert-butyl 3-(3,4,5-trichlorophenyl)pyrrolidine-1-carboxylate
CID 169498313

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol?
The IUPAC name of tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol (CID 171660536) is tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol.
What is the SMILES notation for tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol?
The canonical SMILES for tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol is CC(C)(C)OC(=O)N1CCC(c2ncc(-c3cc(N)ncc3Cl)o2)CC1.OC1CCCOC1.
What is the InChIKey of tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol?
The InChIKey is HVIJGKRSTWREEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3.C5H10O2/c1-18(2,3)26-17(24)23-6-4-11(5-7-23)16-22-10-14(25-16)12-8-15(20)21-9-13(12)19;6-5-2-1-3-7-4-5/h8-11H,4-7H2,1-3H3,(H2,20,21);5-6H,1-4H2.
What are the key properties of tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol?
tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol has a molecular weight of 480.99 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol is sourced from PubChem (CID 171660536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).