tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate

C15H17N3O4 — CID 137320728

IUPACtert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cocn2)cc1
InChIInChI=1S/C15H17N3O4/c1-15(2,3)22-14(20)18-11-6-4-10(5-7-11)17-13(19)12-8-21-9-16-12/h4-9H,1-3H3,(H,17,19)(H,18,20)
InChIKeyMOZFDBHNQNQBEK-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.27
Rot. Bonds3

About tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate

tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate (PubChem CID 137320728) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate
PubChem CID137320728
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Nametert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cocn2)cc1
InChIInChI=1S/C15H17N3O4/c1-15(2,3)22-14(20)18-11-6-4-10(5-7-11)17-13(19)12-8-21-9-16-12/h4-9H,1-3H3,(H,17,19)(H,18,20)
InChIKeyMOZFDBHNQNQBEK-UHFFFAOYSA-N
XLogP3.27
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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[3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate (CID 137320728) is tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cocn2)cc1.
What is the InChIKey of tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate?
The InChIKey is MOZFDBHNQNQBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-15(2,3)22-14(20)18-11-6-4-10(5-7-11)17-13(19)12-8-21-9-16-12/h4-9H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate?
tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate has a molecular weight of 303.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate is sourced from PubChem (CID 137320728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).