N-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide

C11H15N3O2 — CID 139067009

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N[C@@](C)(C#N)C(C)C
InChIInChI=1S/C11H15N3O2/c1-7(2)11(4,6-12)14-10(15)9-5-13-16-8(9)3/h5,7H,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyKIEDOHHFMPEVRX-NSHDSACASA-N
MW221.26 g/mol
LogP1.65
Rot. Bonds3

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 139067009) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID139067009
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N[C@@](C)(C#N)C(C)C
InChIInChI=1S/C11H15N3O2/c1-7(2)11(4,6-12)14-10(15)9-5-13-16-8(9)3/h5,7H,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyKIEDOHHFMPEVRX-NSHDSACASA-N
XLogP1.65
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide (CID 139067009) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)N[C@@](C)(C#N)C(C)C.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KIEDOHHFMPEVRX-NSHDSACASA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(2)11(4,6-12)14-10(15)9-5-13-16-8(9)3/h5,7H,1-4H3,(H,14,15)/t11-/m0/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 139067009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).