tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate

C16H27N3O4S — CID 51357627

IUPACtert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
SMILESCc1oc([C@H](CSC(C)(C)C)NC(=O)OC(C)(C)C)nc1C(N)=O
InChIInChI=1S/C16H27N3O4S/c1-9-11(12(17)20)19-13(22-9)10(8-24-16(5,6)7)18-14(21)23-15(2,3)4/h10H,8H2,1-7H3,(H2,17,20)(H,18,21)/t10-/m0/s1
InChIKeyZCBNELWGQHWVEV-JTQLQIEISA-N
MW357.48 g/mol
LogP3.18
Rot. Bonds5

About tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate

tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate (PubChem CID 51357627) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
PubChem CID51357627
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Nametert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
SMILESCc1oc([C@H](CSC(C)(C)C)NC(=O)OC(C)(C)C)nc1C(N)=O
InChIInChI=1S/C16H27N3O4S/c1-9-11(12(17)20)19-13(22-9)10(8-24-16(5,6)7)18-14(21)23-15(2,3)4/h10H,8H2,1-7H3,(H2,17,20)(H,18,21)/t10-/m0/s1
InChIKeyZCBNELWGQHWVEV-JTQLQIEISA-N
XLogP3.18
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-[4-(4-cyano-5-methyl-1,3-oxazol-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate
CID 51357630
5-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3-oxazole-4-carboxylic acid
CID 91758148
methyl 2-[(1S,2R)-1-[[5-bromo-2-[(1R)-2-tert-butylsulfanyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carbonyl]amino]-2-hydroxypropyl]-1,3-oxazole-4-carboxylate
CID 101494262
methyl 5-methyl-2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate
CID 15867252
tert-butyl (2S)-3-[4-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 153321511
tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate
CID 139227792
ethyl 3-(tert-butyldisulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 135013366
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
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-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethylsulfanyl]ethyl]carbamate
CID 140643356
tert-butyl N-[1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate
CID 3792914
tert-butyl N-[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]carbamate
CID 7034344

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate (CID 51357627) is tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate is Cc1oc([C@H](CSC(C)(C)C)NC(=O)OC(C)(C)C)nc1C(N)=O.
What is the InChIKey of tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate?
The InChIKey is ZCBNELWGQHWVEV-JTQLQIEISA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-9-11(12(17)20)19-13(22-9)10(8-24-16(5,6)7)18-14(21)23-15(2,3)4/h10H,8H2,1-7H3,(H2,17,20)(H,18,21)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate?
tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate has a molecular weight of 357.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 51357627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).