[4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone

C28H27N3O5 — CID 20916699

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone
SMILESCc1ccc(OCc2nc(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)oc2C)cc1
InChIInChI=1S/C28H27N3O5/c1-19-5-11-23(12-6-19)35-18-24-20(2)36-26(29-24)21-7-9-22(10-8-21)27(32)30-13-15-31(16-14-30)28(33)25-4-3-17-34-25/h3-12,17H,13-16,18H2,1-2H3
InChIKeyGGTKETVYEPGFSR-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.73
Rot. Bonds6

About [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone (PubChem CID 20916699) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone
PubChem CID20916699
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone
SMILESCc1ccc(OCc2nc(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)oc2C)cc1
InChIInChI=1S/C28H27N3O5/c1-19-5-11-23(12-6-19)35-18-24-20(2)36-26(29-24)21-7-9-22(10-8-21)27(32)30-13-15-31(16-14-30)28(33)25-4-3-17-34-25/h3-12,17H,13-16,18H2,1-2H3
InChIKeyGGTKETVYEPGFSR-UHFFFAOYSA-N
XLogP4.73
TPSA89.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 20916689
[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 92734983
furan-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 25378232
furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 25382829
(4-methoxyphenyl)-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762202
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916670
(4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762222
[4-(furan-2-carbonyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 38911250
4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916648
N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916684
4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 53213294
[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
CID 87055955

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone (CID 20916699) is [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone is Cc1ccc(OCc2nc(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)oc2C)cc1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone?
The InChIKey is GGTKETVYEPGFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-19-5-11-23(12-6-19)35-18-24-20(2)36-26(29-24)21-7-9-22(10-8-21)27(32)30-13-15-31(16-14-30)28(33)25-4-3-17-34-25/h3-12,17H,13-16,18H2,1-2H3.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone has a molecular weight of 485.54 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone is sourced from PubChem (CID 20916699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).