N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide

C15H26N4O2 — CID 124751502

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide
SMILESCc1noc(C)c1CN(C)C(=O)C[C@H]1CN(C)CCN1C
InChIInChI=1S/C15H26N4O2/c1-11-14(12(2)21-16-11)10-19(5)15(20)8-13-9-17(3)6-7-18(13)4/h13H,6-10H2,1-5H3/t13-/m0/s1
InChIKeyGTVSGXVYKPXFNS-ZDUSSCGKSA-N
MW294.40 g/mol
LogP0.89
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide (PubChem CID 124751502) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide
PubChem CID124751502
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide
SMILESCc1noc(C)c1CN(C)C(=O)C[C@H]1CN(C)CCN1C
InChIInChI=1S/C15H26N4O2/c1-11-14(12(2)21-16-11)10-19(5)15(20)8-13-9-17(3)6-7-18(13)4/h13H,6-10H2,1-5H3/t13-/m0/s1
InChIKeyGTVSGXVYKPXFNS-ZDUSSCGKSA-N
XLogP0.89
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide with MolForge

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylacetamide
CID 60964165
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94442857
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]acetamide
CID 124758405
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 75461539
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199241
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60963501
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 97280098
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94053931
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94053929

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide (CID 124751502) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide is Cc1noc(C)c1CN(C)C(=O)C[C@H]1CN(C)CCN1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide?
The InChIKey is GTVSGXVYKPXFNS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-14(12(2)21-16-11)10-19(5)15(20)8-13-9-17(3)6-7-18(13)4/h13H,6-10H2,1-5H3/t13-/m0/s1.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide has a molecular weight of 294.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 124751502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).