[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid

C11H17N5O5 — CID 68896028

IUPAC[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)C(=O)NCc1nnc(C(N)=O)o1
InChIInChI=1S/C11H17N5O5/c1-11(2,3)6(14-10(19)20)8(18)13-4-5-15-16-9(21-5)7(12)17/h6,14H,4H2,1-3H3,(H2,12,17)(H,13,18)(H,19,20)
InChIKeyTZWIGTIJLQUGCP-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.53
Rot. Bonds5

About [1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid

[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 68896028) has the molecular formula C11H17N5O5 and a molecular weight of 299.29 g/mol. Its IUPAC name is [1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
PubChem CID68896028
Molecular FormulaC11H17N5O5
Molecular Weight299.29 g/mol
Exact Mass299.12
IUPAC Name[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)C(=O)NCc1nnc(C(N)=O)o1
InChIInChI=1S/C11H17N5O5/c1-11(2,3)6(14-10(19)20)8(18)13-4-5-15-16-9(21-5)7(12)17/h6,14H,4H2,1-3H3,(H2,12,17)(H,13,18)(H,19,20)
InChIKeyTZWIGTIJLQUGCP-UHFFFAOYSA-N
XLogP-0.53
TPSA160.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid (CID 68896028) is [1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid is CC(C)(C)C(NC(=O)O)C(=O)NCc1nnc(C(N)=O)o1.
What is the InChIKey of [1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?
The InChIKey is TZWIGTIJLQUGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O5/c1-11(2,3)6(14-10(19)20)8(18)13-4-5-15-16-9(21-5)7(12)17/h6,14H,4H2,1-3H3,(H2,12,17)(H,13,18)(H,19,20).
What are the key properties of [1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?
[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 299.29 g/mol, XLogP of -0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 68896028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).