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

C23H24ClN3O3 — CID 1011145

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C)CC1
InChIInChI=1S/C23H24ClN3O3/c1-3-29-20-11-7-6-10-19(20)26-12-14-27(15-13-26)23(28)21-16(2)30-25-22(21)17-8-4-5-9-18(17)24/h4-11H,3,12-15H2,1-2H3
InChIKeyIMNDTCMHZAAKAX-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.66
Rot. Bonds5

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

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (PubChem CID 1011145) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
PubChem CID1011145
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C)CC1
InChIInChI=1S/C23H24ClN3O3/c1-3-29-20-11-7-6-10-19(20)26-12-14-27(15-13-26)23(28)21-16(2)30-25-22(21)17-8-4-5-9-18(17)24/h4-11H,3,12-15H2,1-2H3
InChIKeyIMNDTCMHZAAKAX-UHFFFAOYSA-N
XLogP4.66
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46232571
4-{[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-2,6-dimethylmorpholine
CID 627025
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 660070
1-{[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-phenylpiperazine
CID 1050462
3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118257
3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129476
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
CID 1326689
3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2873224
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(4-nitrophenyl)piperazinyl ketone
CID 2852179
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)-2-methoxyphenyl]-5-methylisoxazole-4-carboxamide
CID 11568561
[4-(3-Chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 25162048

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (CID 1011145) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is CCOc1ccccc1N1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C)CC1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is IMNDTCMHZAAKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-3-29-20-11-7-6-10-19(20)26-12-14-27(15-13-26)23(28)21-16(2)30-25-22(21)17-8-4-5-9-18(17)24/h4-11H,3,12-15H2,1-2H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 425.92 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1011145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).