tert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate

C15H25N3O4 — CID 136560367

IUPACtert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate
SMILESCC(C)c1oncc1NC(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O4/c1-10(2)13-11(9-17-22-13)18-12(19)7-6-8-16-14(20)21-15(3,4)5/h9-10H,6-8H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyXEUGVBAAOKKDJS-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.04
Rot. Bonds6

About tert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate

tert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate (PubChem CID 136560367) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate
PubChem CID136560367
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate
SMILESCC(C)c1oncc1NC(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O4/c1-10(2)13-11(9-17-22-13)18-12(19)7-6-8-16-14(20)21-15(3,4)5/h9-10H,6-8H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyXEUGVBAAOKKDJS-UHFFFAOYSA-N
XLogP3.04
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate (CID 136560367) is tert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate is CC(C)c1oncc1NC(=O)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate?
The InChIKey is XEUGVBAAOKKDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-10(2)13-11(9-17-22-13)18-12(19)7-6-8-16-14(20)21-15(3,4)5/h9-10H,6-8H2,1-5H3,(H,16,20)(H,18,19).
What are the key properties of tert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate?
tert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate has a molecular weight of 311.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-oxo-4-[(5-propan-2-yl-1,2-oxazol-4-yl)amino]butyl]carbamate is sourced from PubChem (CID 136560367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).