2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide

C13H23N3O2 — CID 43750713

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCc1c(C)noc1C
InChIInChI=1S/C13H23N3O2/c1-8(2)6-12(13(17)14-5)15-7-11-9(3)16-18-10(11)4/h8,12,15H,6-7H2,1-5H3,(H,14,17)
InChIKeyQCZTZXKGHPTDNB-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.54
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide (PubChem CID 43750713) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide
PubChem CID43750713
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCc1c(C)noc1C
InChIInChI=1S/C13H23N3O2/c1-8(2)6-12(13(17)14-5)15-7-11-9(3)16-18-10(11)4/h8,12,15H,6-7H2,1-5H3,(H,14,17)
InChIKeyQCZTZXKGHPTDNB-UHFFFAOYSA-N
XLogP1.54
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate
CID 79242558
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 43574032
(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 78975585
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylheptan-2-amine
CID 43183570
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982
(2S)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 61136408
(2R)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 78975778
(2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid
CID 78975515
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 94150545
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 75461028
(2S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylpentan-2-amine
CID 97054312

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide (CID 43750713) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NCc1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide?
The InChIKey is QCZTZXKGHPTDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)6-12(13(17)14-5)15-7-11-9(3)16-18-10(11)4/h8,12,15H,6-7H2,1-5H3,(H,14,17).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide has a molecular weight of 253.35 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 43750713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).