4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole

C22H26N4O2 — CID 95922846

IUPAC4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1nc(N2CCCCC2)nc(OCc2nc(-c3ccccc3)oc2C)c1C
InChIInChI=1S/C22H26N4O2/c1-15-16(2)23-22(26-12-8-5-9-13-26)25-20(15)27-14-19-17(3)28-21(24-19)18-10-6-4-7-11-18/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3
InChIKeyAFLDJDMFNOPCSD-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.63
Rot. Bonds5

About 4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole

4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 95922846) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole
PubChem CID95922846
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1nc(N2CCCCC2)nc(OCc2nc(-c3ccccc3)oc2C)c1C
InChIInChI=1S/C22H26N4O2/c1-15-16(2)23-22(26-12-8-5-9-13-26)25-20(15)27-14-19-17(3)28-21(24-19)18-10-6-4-7-11-18/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3
InChIKeyAFLDJDMFNOPCSD-UHFFFAOYSA-N
XLogP4.63
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
CID 20930528
3-(4-tert-butylphenyl)-5-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-1,2,4-oxadiazole
CID 95922855
4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine
CID 95922903
(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanamine
CID 142052737
1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110649497
(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
CID 10980111
4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]thiomorpholine-3-carboxylic acid
CID 69172307
2-methyl-N-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-5-amine
CID 139973726
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614527

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole (CID 95922846) is 4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole is Cc1nc(N2CCCCC2)nc(OCc2nc(-c3ccccc3)oc2C)c1C.
What is the InChIKey of 4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is AFLDJDMFNOPCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-16(2)23-22(26-12-8-5-9-13-26)25-20(15)27-14-19-17(3)28-21(24-19)18-10-6-4-7-11-18/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3.
What are the key properties of 4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole?
4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 378.48 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 95922846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).