4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole

C23H25ClN4O2 — CID 58128546

IUPAC4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole
SMILESClc1cnc(N2CCC(C3CC3CCOc3ccc(-c4cnoc4)cc3)CC2)nc1
InChIInChI=1S/C23H25ClN4O2/c24-20-13-25-23(26-14-20)28-8-5-17(6-9-28)22-11-18(22)7-10-29-21-3-1-16(2-4-21)19-12-27-30-15-19/h1-4,12-15,17-18,22H,5-11H2
InChIKeySYGZMRBTUZAFDJ-UHFFFAOYSA-N
MW424.93 g/mol
LogP5.11
Rot. Bonds7

About 4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole

4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole (PubChem CID 58128546) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole
PubChem CID58128546
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole
SMILESClc1cnc(N2CCC(C3CC3CCOc3ccc(-c4cnoc4)cc3)CC2)nc1
InChIInChI=1S/C23H25ClN4O2/c24-20-13-25-23(26-14-20)28-8-5-17(6-9-28)22-11-18(22)7-10-29-21-3-1-16(2-4-21)19-12-27-30-15-19/h1-4,12-15,17-18,22H,5-11H2
InChIKeySYGZMRBTUZAFDJ-UHFFFAOYSA-N
XLogP5.11
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole?
The IUPAC name of 4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole (CID 58128546) is 4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole.
What is the SMILES notation for 4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole?
The canonical SMILES for 4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole is Clc1cnc(N2CCC(C3CC3CCOc3ccc(-c4cnoc4)cc3)CC2)nc1.
What is the InChIKey of 4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole?
The InChIKey is SYGZMRBTUZAFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c24-20-13-25-23(26-14-20)28-8-5-17(6-9-28)22-11-18(22)7-10-29-21-3-1-16(2-4-21)19-12-27-30-15-19/h1-4,12-15,17-18,22H,5-11H2.
What are the key properties of 4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole?
4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole has a molecular weight of 424.93 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole is sourced from PubChem (CID 58128546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).