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

C19H32N2O5 — CID 100983604

IUPACtert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate
SMILESCCC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(C)c1C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O5/c1-10-11(2)14(20-17(23)25-19(7,8)9)15-13(12(3)26-21-15)16(22)24-18(4,5)6/h11,14H,10H2,1-9H3,(H,20,23)/t11?,14-/m0/s1
InChIKeyIEIQZZJBKJPDBR-IAXJKZSUSA-N
MW368.47 g/mol
LogP4.55
Rot. Bonds5

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

tert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate (PubChem CID 100983604) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is tert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate
PubChem CID100983604
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Nametert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate
SMILESCCC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(C)c1C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O5/c1-10-11(2)14(20-17(23)25-19(7,8)9)15-13(12(3)26-21-15)16(22)24-18(4,5)6/h11,14H,10H2,1-9H3,(H,20,23)/t11?,14-/m0/s1
InChIKeyIEIQZZJBKJPDBR-IAXJKZSUSA-N
XLogP4.55
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate
CID 15867252
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)-2-methyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)butyl]carbamate
CID 2771978
tert-butyl N-[(2S)-3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl]carbamate
CID 110677923
tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
CID 53467270
ethyl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
CID 59421483
methyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate
CID 15315493
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 N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
2-(butan-2-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 143350838
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate?
The IUPAC name of tert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate (CID 100983604) is tert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for tert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for tert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate is CCC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(C)c1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate?
The InChIKey is IEIQZZJBKJPDBR-IAXJKZSUSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-10-11(2)14(20-17(23)25-19(7,8)9)15-13(12(3)26-21-15)16(22)24-18(4,5)6/h11,14H,10H2,1-9H3,(H,20,23)/t11?,14-/m0/s1.
What are the key properties of tert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate?
tert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate has a molecular weight of 368.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 100983604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).