methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate

C16H26N2O5 — CID 15867252

IUPACmethyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate
SMILESCC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)OC)c(C)o1
InChIInChI=1S/C16H26N2O5/c1-8-9(2)11(18-15(20)23-16(4,5)6)13-17-12(10(3)22-13)14(19)21-7/h9,11H,8H2,1-7H3,(H,18,20)/t9-,11-/m0/s1
InChIKeyVJBAQNYBMQVUCI-ONGXEEELSA-N
MW326.39 g/mol
LogP3.38
Rot. Bonds5

About methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate

methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate (PubChem CID 15867252) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate
PubChem CID15867252
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Namemethyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate
SMILESCC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)OC)c(C)o1
InChIInChI=1S/C16H26N2O5/c1-8-9(2)11(18-15(20)23-16(4,5)6)13-17-12(10(3)22-13)14(19)21-7/h9,11H,8H2,1-7H3,(H,18,20)/t9-,11-/m0/s1
InChIKeyVJBAQNYBMQVUCI-ONGXEEELSA-N
XLogP3.38
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-[2-[4-methoxycarbonyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate
CID 6709754
tert-butyl N-[(1S)-2-methyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)butyl]carbamate
CID 2771978
methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate
CID 11365577
methyl 5-methyl-2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate
CID 101222843
methyl 2-[[5-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 22694244
tert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate
CID 100983604
tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
CID 53467270
tert-butyl N-[(1S,2S)-1-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
CID 53467495
tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 51357627
tert-butyl N-[(1S,2S)-2-methyl-1-(4-methyl-5H-1,3-thiazol-1-ium-2-yl)butyl]carbamate bromide
CID 10067386
tert-butyl N-[(1S,2S)-2-methyl-1-[5-[(3-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]butyl]carbamate
CID 51436273
5-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3-oxazole-4-carboxylic acid
CID 91758148

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate (CID 15867252) is methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate is CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)OC)c(C)o1.
What is the InChIKey of methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate?
The InChIKey is VJBAQNYBMQVUCI-ONGXEEELSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-8-9(2)11(18-15(20)23-16(4,5)6)13-17-12(10(3)22-13)14(19)21-7/h9,11H,8H2,1-7H3,(H,18,20)/t9-,11-/m0/s1.
What are the key properties of methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate?
methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate has a molecular weight of 326.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 15867252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).