methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate

C9H14N2O3 — CID 85299406

IUPACmethyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(C(N)C(C)C)n1
InChIInChI=1S/C9H14N2O3/c1-5(2)7(10)8-11-6(4-14-8)9(12)13-3/h4-5,7H,10H2,1-3H3
InChIKeyVYWSQRHHDJWHTC-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.12
Rot. Bonds3

About methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate

methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate (PubChem CID 85299406) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate
PubChem CID85299406
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Namemethyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(C(N)C(C)C)n1
InChIInChI=1S/C9H14N2O3/c1-5(2)7(10)8-11-6(4-14-8)9(12)13-3/h4-5,7H,10H2,1-3H3
InChIKeyVYWSQRHHDJWHTC-UHFFFAOYSA-N
XLogP1.12
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-bromo-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 10515587
methyl 2-(1-chloroethyl)-1,3-oxazole-4-carboxylate
CID 131529915
methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate
CID 70848419
methyl 2-(1-bromo-2-oxoethyl)-1,3-oxazole-4-carboxylate
CID 174992892
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 3851144
2-(1-amino-2-methylpropyl)-N-(4-bromophenyl)-1,3-oxazole-4-carboxamide
CID 3827756
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone
CID 3847869
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3850439
2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 3847870
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 3836312

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate (CID 85299406) is methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate is COC(=O)c1coc(C(N)C(C)C)n1.
What is the InChIKey of methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate?
The InChIKey is VYWSQRHHDJWHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(2)7(10)8-11-6(4-14-8)9(12)13-3/h4-5,7H,10H2,1-3H3.
What are the key properties of methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate?
methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 85299406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).