tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate

C13H18N4O5 — CID 156688901

IUPACtert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate
SMILESCc1conc1C1(CNC(=O)OC(C)(C)C)NC(=O)NC1=O
InChIInChI=1S/C13H18N4O5/c1-7-5-21-17-8(7)13(9(18)15-10(19)16-13)6-14-11(20)22-12(2,3)4/h5H,6H2,1-4H3,(H,14,20)(H2,15,16,18,19)
InChIKeyLDGBJZQWMATIPI-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.54
Rot. Bonds3

About tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate

tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate (PubChem CID 156688901) has the molecular formula C13H18N4O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate
PubChem CID156688901
Molecular FormulaC13H18N4O5
Molecular Weight310.31 g/mol
Exact Mass310.13
IUPAC Nametert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate
SMILESCc1conc1C1(CNC(=O)OC(C)(C)C)NC(=O)NC1=O
InChIInChI=1S/C13H18N4O5/c1-7-5-21-17-8(7)13(9(18)15-10(19)16-13)6-14-11(20)22-12(2,3)4/h5H,6H2,1-4H3,(H,14,20)(H2,15,16,18,19)
InChIKeyLDGBJZQWMATIPI-UHFFFAOYSA-N
XLogP0.54
TPSA122.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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

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Related Compounds

tert-butyl N-[[(4R)-4-(4-methyl-1,2-oxazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate
CID 175802307
tert-butyl N-[[4-(3,5-dimethylimidazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate
CID 156688917
tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate
CID 175783252
tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
CID 164850848
tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566495
tert-butyl N-[[(5R,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566497
tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate
CID 22414859
5-chloro-N-[[(4S)-4-(3-methyl-2-pyridinyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 118722687
tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate
CID 139026733
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
tert-butyl N-(trimethylsilylmethyl)carbamate
CID 45092007
tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate
CID 164643510

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate (CID 156688901) is tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate is Cc1conc1C1(CNC(=O)OC(C)(C)C)NC(=O)NC1=O.
What is the InChIKey of tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate?
The InChIKey is LDGBJZQWMATIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O5/c1-7-5-21-17-8(7)13(9(18)15-10(19)16-13)6-14-11(20)22-12(2,3)4/h5H,6H2,1-4H3,(H,14,20)(H2,15,16,18,19).
What are the key properties of tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate?
tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate has a molecular weight of 310.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate is sourced from PubChem (CID 156688901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).