(2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide

C13H24N4O2 — CID 56877959

IUPAC(2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(C)Cc1nc(C(C)C)no1
InChIInChI=1S/C13H24N4O2/c1-8(2)6-10(14)13(18)17(5)7-11-15-12(9(3)4)16-19-11/h8-10H,6-7,14H2,1-5H3/t10-/m1/s1
InChIKeyJBCVKBNPGKTFJP-SNVBAGLBSA-N
MW268.36 g/mol
LogP1.52
Rot. Bonds6

About (2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide

(2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide (PubChem CID 56877959) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
PubChem CID56877959
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name(2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(C)Cc1nc(C(C)C)no1
InChIInChI=1S/C13H24N4O2/c1-8(2)6-10(14)13(18)17(5)7-11-15-12(9(3)4)16-19-11/h8-10H,6-7,14H2,1-5H3/t10-/m1/s1
InChIKeyJBCVKBNPGKTFJP-SNVBAGLBSA-N
XLogP1.52
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide?
The IUPAC name of (2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide (CID 56877959) is (2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide is CC(C)C[C@@H](N)C(=O)N(C)Cc1nc(C(C)C)no1.
What is the InChIKey of (2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide?
The InChIKey is JBCVKBNPGKTFJP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-8(2)6-10(14)13(18)17(5)7-11-15-12(9(3)4)16-19-11/h8-10H,6-7,14H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide?
(2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide has a molecular weight of 268.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,4-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide is sourced from PubChem (CID 56877959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).