3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide

C18H24N4O2 — CID 38810246

IUPAC3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H24N4O2/c1-14-17(15(2)24-20-14)18(23)19-8-9-21-10-12-22(13-11-21)16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3,(H,19,23)
InChIKeyAUYRBSCQPZFHMT-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.84
Rot. Bonds5

About 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 38810246) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID38810246
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H24N4O2/c1-14-17(15(2)24-20-14)18(23)19-8-9-21-10-12-22(13-11-21)16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3,(H,19,23)
InChIKeyAUYRBSCQPZFHMT-UHFFFAOYSA-N
XLogP1.84
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
CID 25265089
5-amino-N-(2-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263600
Mls003170801
CID 332790
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
N-(4-cyanophenyl)-3,5-dimethylisoxazole-4-carboxamide
CID 2741509
N-[2-(4-benzylpiperazino)ethyl]-N'-(3,5-dimethyl-4-isoxazolyl)urea
CID 2811077
5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 2814205
N-{4-[(3,5-dimethylisoxazol-4-yl)carbonylamino]phenyl}acetamide
CID 4791027
N-[4-(diethylamino)phenyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 4791029
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4800687
N-[4-(diethylcarbamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9502259
3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 17174146

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 38810246) is 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is AUYRBSCQPZFHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-17(15(2)24-20-14)18(23)19-8-9-21-10-12-22(13-11-21)16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3,(H,19,23).
What are the key properties of 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 38810246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).