propan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate

C13H21N3O4 — CID 110191733

IUPACpropan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate
SMILESCC(C)OC(=O)CNC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C13H21N3O4/c1-8(2)19-11(17)7-14-12(18)15-10-6-9(20-16-10)13(3,4)5/h6,8H,7H2,1-5H3,(H2,14,15,16,18)
InChIKeyYMSPCJRWTYNRDA-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.05
Rot. Bonds4

About propan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate

propan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate (PubChem CID 110191733) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is propan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate
PubChem CID110191733
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Namepropan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate
SMILESCC(C)OC(=O)CNC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C13H21N3O4/c1-8(2)19-11(17)7-14-12(18)15-10-6-9(20-16-10)13(3,4)5/h6,8H,7H2,1-5H3,(H2,14,15,16,18)
InChIKeyYMSPCJRWTYNRDA-UHFFFAOYSA-N
XLogP2.05
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate
CID 13489713
CID 58990227
CID 58990227
4-[[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoic acid
CID 108812303
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)methyl]urea
CID 108812444
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea
CID 108812279
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926281
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea
CID 108812470
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108812450
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate?
The IUPAC name of propan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate (CID 110191733) is propan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate?
The canonical SMILES for propan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate is CC(C)OC(=O)CNC(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of propan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate?
The InChIKey is YMSPCJRWTYNRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-8(2)19-11(17)7-14-12(18)15-10-6-9(20-16-10)13(3,4)5/h6,8H,7H2,1-5H3,(H2,14,15,16,18).
What are the key properties of propan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate?
propan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate has a molecular weight of 283.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate is sourced from PubChem (CID 110191733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).