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

C11H17N5O5 — CID 68896026

IUPAC[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
SMILESCN(C(=O)C(NC(=O)O)C(C)(C)C)c1nnc(C(N)=O)o1
InChIInChI=1S/C11H17N5O5/c1-11(2,3)5(13-10(19)20)8(18)16(4)9-15-14-7(21-9)6(12)17/h5,13H,1-4H3,(H2,12,17)(H,19,20)
InChIKeyNPMJHCSXZUBBRM-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.19
Rot. Bonds4

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 68896026) 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 CID68896026
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
SMILESCN(C(=O)C(NC(=O)O)C(C)(C)C)c1nnc(C(N)=O)o1
InChIInChI=1S/C11H17N5O5/c1-11(2,3)5(13-10(19)20)8(18)16(4)9-15-14-7(21-9)6(12)17/h5,13H,1-4H3,(H2,12,17)(H,19,20)
InChIKeyNPMJHCSXZUBBRM-UHFFFAOYSA-N
XLogP-0.19
TPSA151.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
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 68896026) 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 CN(C(=O)C(NC(=O)O)C(C)(C)C)c1nnc(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 NPMJHCSXZUBBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O5/c1-11(2,3)5(13-10(19)20)8(18)16(4)9-15-14-7(21-9)6(12)17/h5,13H,1-4H3,(H2,12,17)(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 -0.19, 4 rotatable bonds, 3 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 68896026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).