3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate

C17H28N2O5 — CID 86729792

IUPAC3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
SMILESCCC(C)(CC)OC(=O)c1cc([C@@H](C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C17H28N2O5/c1-8-17(7,9-2)22-14(20)13-10-12(19-24-13)11(3)18-15(21)23-16(4,5)6/h10-11H,8-9H2,1-7H3,(H,18,21)/t11-/m1/s1
InChIKeyPMPGBHMQMLEVCF-LLVKDONJSA-N
MW340.42 g/mol
LogP4.00
Rot. Bonds6

About 3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate

3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate (PubChem CID 86729792) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
PubChem CID86729792
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Name3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
SMILESCCC(C)(CC)OC(=O)c1cc([C@@H](C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C17H28N2O5/c1-8-17(7,9-2)22-14(20)13-10-12(19-24-13)11(3)18-15(21)23-16(4,5)6/h10-11H,8-9H2,1-7H3,(H,18,21)/t11-/m1/s1
InChIKeyPMPGBHMQMLEVCF-LLVKDONJSA-N
XLogP4.00
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate with MolForge

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Related Compounds

ethyl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
CID 59421483
tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate
CID 130748149
tert-butyl N-[1-[5-(bromomethyl)-1,2-oxazol-3-yl]-3-methylbutyl]carbamate
CID 20610322
tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate
CID 130913963
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate
CID 130470626
3-[(1S)-1-aminoethyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;tert-butyl N-[(1S)-1-[5-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazol-3-yl]ethyl]carbamate;3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylic acid;4-methyl-3-(trifluoromethyl)aniline
CID 158705662
tert-butyl N-[(1S)-1-[3-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylethyl]-1,2-oxazol-5-yl]ethyl]carbamate
CID 139228477
tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate
CID 130495163
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 4712684
ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 52911130
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405

Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate?
The IUPAC name of 3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate (CID 86729792) is 3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate.
What is the SMILES notation for 3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate?
The canonical SMILES for 3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate is CCC(C)(CC)OC(=O)c1cc([C@@H](C)NC(=O)OC(C)(C)C)no1.
What is the InChIKey of 3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate?
The InChIKey is PMPGBHMQMLEVCF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-8-17(7,9-2)22-14(20)13-10-12(19-24-13)11(3)18-15(21)23-16(4,5)6/h10-11H,8-9H2,1-7H3,(H,18,21)/t11-/m1/s1.
What are the key properties of 3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate?
3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 86729792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).