(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone

C22H31N3O3 — CID 110608362

IUPAC(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1CCN1CCN(C(=O)c2c(C(C)(C)C)noc2C)CC1
InChIInChI=1S/C22H31N3O3/c1-16-19(20(23-28-16)22(2,3)4)21(26)25-14-12-24(13-15-25)11-10-17-8-6-7-9-18(17)27-5/h6-9H,10-15H2,1-5H3
InChIKeyWNCILOTXUSIGJD-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.29
Rot. Bonds5

About (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone

(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 110608362) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone
PubChem CID110608362
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1CCN1CCN(C(=O)c2c(C(C)(C)C)noc2C)CC1
InChIInChI=1S/C22H31N3O3/c1-16-19(20(23-28-16)22(2,3)4)21(26)25-14-12-24(13-15-25)11-10-17-8-6-7-9-18(17)27-5/h6-9H,10-15H2,1-5H3
InChIKeyWNCILOTXUSIGJD-UHFFFAOYSA-N
XLogP3.29
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenyl)-1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110395785
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone
CID 110356563
N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 110616485
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2741374
N-(3,4-dimethylphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109251
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 33324195
3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 110412228
(2,6-dimethoxyphenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 1112852
1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one
CID 110611630
(3,4-dimethoxyphenyl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 110412036

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone (CID 110608362) is (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone is COc1ccccc1CCN1CCN(C(=O)c2c(C(C)(C)C)noc2C)CC1.
What is the InChIKey of (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is WNCILOTXUSIGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16-19(20(23-28-16)22(2,3)4)21(26)25-14-12-24(13-15-25)11-10-17-8-6-7-9-18(17)27-5/h6-9H,10-15H2,1-5H3.
What are the key properties of (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 385.51 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110608362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).