(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone

C18H21N3O3 — CID 32517272

IUPAC(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(C(=O)c3cc(C)no3)CC2)c1
InChIInChI=1S/C18H21N3O3/c1-12-8-13(2)10-15(9-12)17(22)20-4-6-21(7-5-20)18(23)16-11-14(3)19-24-16/h8-11H,4-7H2,1-3H3
InChIKeyUKUXRNNNXHUCLY-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.20
Rot. Bonds2

About (3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone

(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 32517272) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID32517272
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(C(=O)c3cc(C)no3)CC2)c1
InChIInChI=1S/C18H21N3O3/c1-12-8-13(2)10-15(9-12)17(22)20-4-6-21(7-5-20)18(23)16-11-14(3)19-24-16/h8-11H,4-7H2,1-3H3
InChIKeyUKUXRNNNXHUCLY-UHFFFAOYSA-N
XLogP2.20
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
furan-3-yl-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32532619
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one
CID 70715796
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 75501560
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
(3-methyl-1,2-oxazol-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 136512064
(3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 43060282
N-[4-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166409111
(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 65244680
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63596014
[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119423963

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone (CID 32517272) is (3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone is Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3cc(C)no3)CC2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is UKUXRNNNXHUCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-8-13(2)10-15(9-12)17(22)20-4-6-21(7-5-20)18(23)16-11-14(3)19-24-16/h8-11H,4-7H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone?
(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 327.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 32517272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).