(2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide

C14H25N3O2 — CID 119821091

IUPAC(2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide
SMILESCCc1noc(CC)c1CNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-6-10-9(11(7-2)19-17-10)8-16-13(18)12(15)14(3,4)5/h12H,6-8,15H2,1-5H3,(H,16,18)/t12-/m1/s1
InChIKeyCAJGJUUKBVVEQM-GFCCVEGCSA-N
MW267.37 g/mol
LogP1.79
Rot. Bonds5

About (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide (PubChem CID 119821091) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide
PubChem CID119821091
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide
SMILESCCc1noc(CC)c1CNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-6-10-9(11(7-2)19-17-10)8-16-13(18)12(15)14(3,4)5/h12H,6-8,15H2,1-5H3,(H,16,18)/t12-/m1/s1
InChIKeyCAJGJUUKBVVEQM-GFCCVEGCSA-N
XLogP1.79
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245261
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
(3-Ethyl-5-methylisoxazol-4-yl)(pyrrolidin-1-yl)methanone
CID 1245980
4-Isoxazolemethanamine, 3,5-diethyl-
CID 71755768
1-(Dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 71757345
N-(2-(Dimethylamino)ethyl)-3-ethyl-5-methylisoxazole-4-carboxamide
CID 1245014
3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30478640
3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 39513620
N-(3-methoxypropyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 45796442
3-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)-1,2-oxazole-4-carboxamide
CID 45796489
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47010153
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide
CID 47865915

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide (CID 119821091) is (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide is CCc1noc(CC)c1CNC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide?
The InChIKey is CAJGJUUKBVVEQM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-10-9(11(7-2)19-17-10)8-16-13(18)12(15)14(3,4)5/h12H,6-8,15H2,1-5H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide has a molecular weight of 267.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119821091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).