(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

C18H23N3O3 — CID 1247470

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C18H23N3O3/c1-4-23-16-8-6-5-7-15(16)20-9-11-21(12-10-20)18(22)17-13(2)19-24-14(17)3/h5-8H,4,9-12H2,1-3H3
InChIKeyNDQWHRJGUBNQRW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.65
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (PubChem CID 1247470) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
PubChem CID1247470
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C18H23N3O3/c1-4-23-16-8-6-5-7-15(16)20-9-11-21(12-10-20)18(22)17-13(2)19-24-14(17)3/h5-8H,4,9-12H2,1-3H3
InChIKeyNDQWHRJGUBNQRW-UHFFFAOYSA-N
XLogP2.65
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25162370
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 660070
[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 1011145
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-ylmethyl}-pyrrolidin-2-one
CID 10318686
{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-yl}-methanol
CID 10640259
1-{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-5-ylmethyl}-piperidin-2-one
CID 12134986
[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 25163087
1-{2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 25163258
[4-(2-Methoxy-phenyl)-piperazin-1-yl]-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093741
N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4788334
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4801474

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (CID 1247470) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is CCOc1ccccc1N1CCN(C(=O)c2c(C)noc2C)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is NDQWHRJGUBNQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-23-16-8-6-5-7-15(16)20-9-11-21(12-10-20)18(22)17-13(2)19-24-14(17)3/h5-8H,4,9-12H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1247470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).