(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide

C14H18N4O2 — CID 103929614

IUPAC(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)11(15)12(19)17-10-6-4-5-9(7-10)13-18-16-8-20-13/h4-8,11H,15H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyRBYIPLYVGVOHKF-NSHDSACASA-N
MW274.32 g/mol
LogP2.05
Rot. Bonds3

About (2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide

(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide (PubChem CID 103929614) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
PubChem CID103929614
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)11(15)12(19)17-10-6-4-5-9(7-10)13-18-16-8-20-13/h4-8,11H,15H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyRBYIPLYVGVOHKF-NSHDSACASA-N
XLogP2.05
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
2-amino-3,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 76888066
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
CID 65333020
N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
CID 107444720
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
2,4,5-trimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 86928806
5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 47164595
2-amino-3,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 76887854

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide (CID 103929614) is (2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide is CC(C)(C)[C@@H](N)C(=O)Nc1cccc(-c2nnco2)c1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide?
The InChIKey is RBYIPLYVGVOHKF-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O2/c1-14(2,3)11(15)12(19)17-10-6-4-5-9(7-10)13-18-16-8-20-13/h4-8,11H,15H2,1-3H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide?
(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide has a molecular weight of 274.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 103929614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).