4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine

C29H32N4O2S — CID 4984355

IUPAC4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine
SMILESCc1onc(-c2ccccc2)c1-c1csc(C2CCN(Cc3ccccc3N3CCOCC3)CC2)n1
InChIInChI=1S/C29H32N4O2S/c1-21-27(28(31-35-21)22-7-3-2-4-8-22)25-20-36-29(30-25)23-11-13-32(14-12-23)19-24-9-5-6-10-26(24)33-15-17-34-18-16-33/h2-10,20,23H,11-19H2,1H3
InChIKeyANRUHRNBUSQNBF-UHFFFAOYSA-N
MW500.67 g/mol
LogP5.99
Rot. Bonds6

About 4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine

4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine (PubChem CID 4984355) has the molecular formula C29H32N4O2S and a molecular weight of 500.67 g/mol. Its IUPAC name is 4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine
PubChem CID4984355
Molecular FormulaC29H32N4O2S
Molecular Weight500.67 g/mol
Exact Mass500.22
IUPAC Name4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine
SMILESCc1onc(-c2ccccc2)c1-c1csc(C2CCN(Cc3ccccc3N3CCOCC3)CC2)n1
InChIInChI=1S/C29H32N4O2S/c1-21-27(28(31-35-21)22-7-3-2-4-8-22)25-20-36-29(30-25)23-11-13-32(14-12-23)19-24-9-5-6-10-26(24)33-15-17-34-18-16-33/h2-10,20,23H,11-19H2,1H3
InChIKeyANRUHRNBUSQNBF-UHFFFAOYSA-N
XLogP5.99
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.67
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine?
The IUPAC name of 4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine (CID 4984355) is 4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine.
What is the SMILES notation for 4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine?
The canonical SMILES for 4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine is Cc1onc(-c2ccccc2)c1-c1csc(C2CCN(Cc3ccccc3N3CCOCC3)CC2)n1.
What is the InChIKey of 4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine?
The InChIKey is ANRUHRNBUSQNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2S/c1-21-27(28(31-35-21)22-7-3-2-4-8-22)25-20-36-29(30-25)23-11-13-32(14-12-23)19-24-9-5-6-10-26(24)33-15-17-34-18-16-33/h2-10,20,23H,11-19H2,1H3.
What are the key properties of 4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine?
4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine has a molecular weight of 500.67 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine is sourced from PubChem (CID 4984355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).