(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C8H13N3O2 — CID 79024953

IUPAC(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@H](N)C(=O)Nc1cc(C)on1
InChIInChI=1S/C8H13N3O2/c1-3-6(9)8(12)10-7-4-5(2)13-11-7/h4,6H,3,9H2,1-2H3,(H,10,11,12)/t6-/m0/s1
InChIKeyQNNOUMBDETZXAY-LURJTMIESA-N
MW183.21 g/mol
LogP0.66
Rot. Bonds3

About (2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide

(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 79024953) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID79024953
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@H](N)C(=O)Nc1cc(C)on1
InChIInChI=1S/C8H13N3O2/c1-3-6(9)8(12)10-7-4-5(2)13-11-7/h4,6H,3,9H2,1-2H3,(H,10,11,12)/t6-/m0/s1
InChIKeyQNNOUMBDETZXAY-LURJTMIESA-N
XLogP0.66
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
CID 94031927
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 25355318
(2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide
CID 22689861
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
2-[2-(ethoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47129265
N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996041
(2S)-2-amino-3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 93031229
(2R)-2-amino-3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61141655
(2R)-2-amino-3-(1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 104910728
2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51074464

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 79024953) is (2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CC[C@H](N)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is QNNOUMBDETZXAY-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-6(9)8(12)10-7-4-5(2)13-11-7/h4,6H,3,9H2,1-2H3,(H,10,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 183.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 79024953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).