methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate

C24H23ClN4O5 — CID 55802844

IUPACmethyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1
InChIInChI=1S/C24H23ClN4O5/c1-32-21(30)15-29(14-16-4-6-18(25)7-5-16)23(31)17-8-10-28(11-9-17)24-19(13-26)27-22(34-24)20-3-2-12-33-20/h2-7,12,17H,8-11,14-15H2,1H3
InChIKeyYNMJQAGAXBWSEF-UHFFFAOYSA-N
MW482.92 g/mol
LogP3.88
Rot. Bonds7

About methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate

methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate (PubChem CID 55802844) has the molecular formula C24H23ClN4O5 and a molecular weight of 482.92 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate
PubChem CID55802844
Molecular FormulaC24H23ClN4O5
Molecular Weight482.92 g/mol
Exact Mass482.14
IUPAC Namemethyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1
InChIInChI=1S/C24H23ClN4O5/c1-32-21(30)15-29(14-16-4-6-18(25)7-5-16)23(31)17-8-10-28(11-9-17)24-19(13-26)27-22(34-24)20-3-2-12-33-20/h2-7,12,17H,8-11,14-15H2,1H3
InChIKeyYNMJQAGAXBWSEF-UHFFFAOYSA-N
XLogP3.88
TPSA112.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate (CID 55802844) is methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate is COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1.
What is the InChIKey of methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate?
The InChIKey is YNMJQAGAXBWSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O5/c1-32-21(30)15-29(14-16-4-6-18(25)7-5-16)23(31)17-8-10-28(11-9-17)24-19(13-26)27-22(34-24)20-3-2-12-33-20/h2-7,12,17H,8-11,14-15H2,1H3.
What are the key properties of methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate?
methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate has a molecular weight of 482.92 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 55802844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).