(4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C22H27N3O3 — CID 71837767

IUPAC(4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-15-5-7-18(8-6-15)21(26)25-13-9-17(10-14-25)20-23-19(16(2)28-20)22(27)24-11-3-4-12-24/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyRESGFJHIOPJLAO-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.55
Rot. Bonds3

About (4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

(4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 71837767) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID71837767
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-15-5-7-18(8-6-15)21(26)25-13-9-17(10-14-25)20-23-19(16(2)28-20)22(27)24-11-3-4-12-24/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyRESGFJHIOPJLAO-UHFFFAOYSA-N
XLogP3.55
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837745
N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 71837826
(4-ethoxyphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837791
(2,4-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837736
N-(2,4-dimethylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 71837584
N-(2-chloro-4-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 71837596
(2,5-difluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837787
2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 71837810
N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 71837590
1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 71837765
(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 53168372
2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837884

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 71837767) is (4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is RESGFJHIOPJLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-5-7-18(8-6-15)21(26)25-13-9-17(10-14-25)20-23-19(16(2)28-20)22(27)24-11-3-4-12-24/h5-8,17H,3-4,9-14H2,1-2H3.
What are the key properties of (4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
(4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71837767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).