methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate

C13H22N2O3 — CID 71855505

IUPACmethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate
SMILESCCC(C)(CC(=O)OC)NCc1c(C)noc1C
InChIInChI=1S/C13H22N2O3/c1-6-13(4,7-12(16)17-5)14-8-11-9(2)15-18-10(11)3/h14H,6-8H2,1-5H3
InChIKeySJNJWOHXJPNWAV-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.11
Rot. Bonds6

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

methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate (PubChem CID 71855505) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate
PubChem CID71855505
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namemethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate
SMILESCCC(C)(CC(=O)OC)NCc1c(C)noc1C
InChIInChI=1S/C13H22N2O3/c1-6-13(4,7-12(16)17-5)14-8-11-9(2)15-18-10(11)3/h14H,6-8H2,1-5H3
InChIKeySJNJWOHXJPNWAV-UHFFFAOYSA-N
XLogP2.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006353
1-((Dimethyl-1,2-oxazol-4-yl)methyl)piperazine dihydrochloride
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tert-butyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]carbamate
CID 52354045
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(oxan-4-yl)urea
CID 53509289
Methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate
CID 71918125
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 93260440
1-[(Dimethyl-1,2-oxazol-4-yl)methyl]piperazine
CID 2772401
N-[(dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine
CID 28780690
((Dimethyl-1,2-oxazol-4-yl)methyl)(methyl)amine hydrochloride
CID 45782718
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide
CID 75462036
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethyl)urea
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N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide
CID 47861683

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate?
The IUPAC name of methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate (CID 71855505) is methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate.
What is the SMILES notation for methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate?
The canonical SMILES for methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate is CCC(C)(CC(=O)OC)NCc1c(C)noc1C.
What is the InChIKey of methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate?
The InChIKey is SJNJWOHXJPNWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-6-13(4,7-12(16)17-5)14-8-11-9(2)15-18-10(11)3/h14H,6-8H2,1-5H3.
What are the key properties of methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate?
methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate has a molecular weight of 254.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate is sourced from PubChem (CID 71855505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).