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

C16H27N3O5 — CID 102289136

IUPACpropan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate
SMILESCC(C)OC(=O)NN(Cc1cnc(C(C)(C)C)o1)C(=O)OC(C)C
InChIInChI=1S/C16H27N3O5/c1-10(2)22-14(20)18-19(15(21)23-11(3)4)9-12-8-17-13(24-12)16(5,6)7/h8,10-11H,9H2,1-7H3,(H,18,20)
InChIKeyJCDZCSHEAWTJPQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.37
Rot. Bonds4

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

propan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate (PubChem CID 102289136) has the molecular formula C16H27N3O5 and a molecular weight of 341.41 g/mol. Its IUPAC name is propan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate
PubChem CID102289136
Molecular FormulaC16H27N3O5
Molecular Weight341.41 g/mol
Exact Mass341.20
IUPAC Namepropan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate
SMILESCC(C)OC(=O)NN(Cc1cnc(C(C)(C)C)o1)C(=O)OC(C)C
InChIInChI=1S/C16H27N3O5/c1-10(2)22-14(20)18-19(15(21)23-11(3)4)9-12-8-17-13(24-12)16(5,6)7/h8,10-11H,9H2,1-7H3,(H,18,20)
InChIKeyJCDZCSHEAWTJPQ-UHFFFAOYSA-N
XLogP3.37
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[2-(1-adamantyl)-1,3-oxazol-5-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 139257076
2-tert-butyl-5-(methoxymethyl)-1,3-oxazole
CID 57110419
2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole
CID 118391801
propan-2-yl N-methyl-N-(pyrimidin-2-ylmethyl)carbamate
CID 177326284
N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 144854283
propan-2-yl N-[[7-[2-(4-methylphenyl)ethynyl]quinolin-8-yl]methyl]-N-(propan-2-yloxycarbonylamino)carbamate
CID 142752855
N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide
CID 166424338
propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 116654769
2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole
CID 57087934
propan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate
CID 102043449
propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate
CID 91226851
propan-2-yl N-[(3-benzyl-2,4-dioxopyrimidin-1-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate
CID 13009254

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate?
The IUPAC name of propan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate (CID 102289136) is propan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate.
What is the SMILES notation for propan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate?
The canonical SMILES for propan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate is CC(C)OC(=O)NN(Cc1cnc(C(C)(C)C)o1)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate?
The InChIKey is JCDZCSHEAWTJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5/c1-10(2)22-14(20)18-19(15(21)23-11(3)4)9-12-8-17-13(24-12)16(5,6)7/h8,10-11H,9H2,1-7H3,(H,18,20).
What are the key properties of propan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate?
propan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate has a molecular weight of 341.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate is sourced from PubChem (CID 102289136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).