1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide

C23H21ClN4O3 — CID 664100

IUPAC1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C23H21ClN4O3/c24-18-5-1-15(2-6-18)14-30-19-7-3-17(4-8-19)22-27-20(13-25)23(31-22)28-11-9-16(10-12-28)21(26)29/h1-8,16H,9-12,14H2,(H2,26,29)
InChIKeyFWNRLNIZKQWZFW-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.15
Rot. Bonds6

About 1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide

1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 664100) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is 1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID664100
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Name1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C23H21ClN4O3/c24-18-5-1-15(2-6-18)14-30-19-7-3-17(4-8-19)22-27-20(13-25)23(31-22)28-11-9-16(10-12-28)21(26)29/h1-8,16H,9-12,14H2,(H2,26,29)
InChIKeyFWNRLNIZKQWZFW-UHFFFAOYSA-N
XLogP4.15
TPSA105.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 664100) is 1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide is N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is FWNRLNIZKQWZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c24-18-5-1-15(2-6-18)14-30-19-7-3-17(4-8-19)22-27-20(13-25)23(31-22)28-11-9-16(10-12-28)21(26)29/h1-8,16H,9-12,14H2,(H2,26,29).
What are the key properties of 1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 664100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).