3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole

C15H27N3O — CID 79237828

IUPAC3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole
SMILESCc1noc(C)c1C(C)N1CCNC(CC(C)C)C1
InChIInChI=1S/C15H27N3O/c1-10(2)8-14-9-18(7-6-16-14)12(4)15-11(3)17-19-13(15)5/h10,12,14,16H,6-9H2,1-5H3
InChIKeyUIXJYMNMCQNSLX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.67
Rot. Bonds4

About 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole

3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole (PubChem CID 79237828) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole
PubChem CID79237828
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole
SMILESCc1noc(C)c1C(C)N1CCNC(CC(C)C)C1
InChIInChI=1S/C15H27N3O/c1-10(2)8-14-9-18(7-6-16-14)12(4)15-11(3)17-19-13(15)5/h10,12,14,16H,6-9H2,1-5H3
InChIKeyUIXJYMNMCQNSLX-UHFFFAOYSA-N
XLogP2.67
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
[(2S,4S)-1-[(dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
alpha,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006348
N,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006353
1-((Dimethyl-1,2-oxazol-4-yl)methyl)piperazine dihydrochloride
CID 42933684
1-{[5-(Methylethyl)isoxazol-3-yl]methyl}-4-piperidylamine
CID 25248466
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47010153
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 47110196
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47278907
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47766190
4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide
CID 47865546
4-(cyclopropylmethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide
CID 47865683

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole (CID 79237828) is 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole is Cc1noc(C)c1C(C)N1CCNC(CC(C)C)C1.
What is the InChIKey of 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole?
The InChIKey is UIXJYMNMCQNSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(2)8-14-9-18(7-6-16-14)12(4)15-11(3)17-19-13(15)5/h10,12,14,16H,6-9H2,1-5H3.
What are the key properties of 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole?
3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole has a molecular weight of 265.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole is sourced from PubChem (CID 79237828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).