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

C11H17N3O4 — CID 175523608

IUPAC[3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate
SMILESCC(C)(C)C(C)(NC(=O)c1cocn1)OC(N)=O
InChIInChI=1S/C11H17N3O4/c1-10(2,3)11(4,18-9(12)16)14-8(15)7-5-17-6-13-7/h5-6H,1-4H3,(H2,12,16)(H,14,15)
InChIKeyZAZXKCQYWVNEAQ-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.26
Rot. Bonds3

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

[3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate (PubChem CID 175523608) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is [3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate.

Molecular Properties

Compound Name[3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate
PubChem CID175523608
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name[3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate
SMILESCC(C)(C)C(C)(NC(=O)c1cocn1)OC(N)=O
InChIInChI=1S/C11H17N3O4/c1-10(2,3)11(4,18-9(12)16)14-8(15)7-5-17-6-13-7/h5-6H,1-4H3,(H2,12,16)(H,14,15)
InChIKeyZAZXKCQYWVNEAQ-UHFFFAOYSA-N
XLogP1.26
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate?
The IUPAC name of [3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate (CID 175523608) is [3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate.
What is the SMILES notation for [3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate?
The canonical SMILES for [3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate is CC(C)(C)C(C)(NC(=O)c1cocn1)OC(N)=O.
What is the InChIKey of [3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate?
The InChIKey is ZAZXKCQYWVNEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-10(2,3)11(4,18-9(12)16)14-8(15)7-5-17-6-13-7/h5-6H,1-4H3,(H2,12,16)(H,14,15).
What are the key properties of [3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate?
[3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate has a molecular weight of 255.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-2-(1,3-oxazole-4-carbonylamino)butan-2-yl] carbamate is sourced from PubChem (CID 175523608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).