methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate

C14H22N2O5 — CID 18759156

IUPACmethyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate
SMILESCOC(=O)C(NC(=O)OCc1cc(C(C)C)no1)C(C)C
InChIInChI=1S/C14H22N2O5/c1-8(2)11-6-10(21-16-11)7-20-14(18)15-12(9(3)4)13(17)19-5/h6,8-9,12H,7H2,1-5H3,(H,15,18)
InChIKeyLNGJRYFQRAOHSS-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.22
Rot. Bonds6

About methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate

methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate (PubChem CID 18759156) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate
PubChem CID18759156
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Namemethyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate
SMILESCOC(=O)C(NC(=O)OCc1cc(C(C)C)no1)C(C)C
InChIInChI=1S/C14H22N2O5/c1-8(2)11-6-10(21-16-11)7-20-14(18)15-12(9(3)4)13(17)19-5/h6,8-9,12H,7H2,1-5H3,(H,15,18)
InChIKeyLNGJRYFQRAOHSS-UHFFFAOYSA-N
XLogP2.22
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate with MolForge

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Related Compounds

[3-[[(1S,3S)-3-(hexanoylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl hexanoate
CID 56773991
N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide
CID 164634692
[3-(Trifluoromethyl)-1,2-oxazol-5-yl]methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 132318591
1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate
CID 12920332
3-Methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoic acid
CID 18759154
(2S)-3-methyl-2-[(3-propanoyl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoic acid
CID 22978936
methyl (2S)-3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate
CID 54042402
(2S)-3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoic acid
CID 54238026
Methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
CID 66739536
(3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
CID 88773739
2-Ethylbutyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
CID 90331201
(3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate
CID 91305946

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate (CID 18759156) is methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate is COC(=O)C(NC(=O)OCc1cc(C(C)C)no1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate?
The InChIKey is LNGJRYFQRAOHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-8(2)11-6-10(21-16-11)7-20-14(18)15-12(9(3)4)13(17)19-5/h6,8-9,12H,7H2,1-5H3,(H,15,18).
What are the key properties of methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate?
methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate has a molecular weight of 298.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate is sourced from PubChem (CID 18759156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).