(2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide

C12H20N4O3 — CID 82961403

IUPAC(2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCc1noc(NC(=O)CNC(=O)[C@@H](N)C(C)C)c1C
InChIInChI=1S/C12H20N4O3/c1-6(2)10(13)11(18)14-5-9(17)15-12-7(3)8(4)16-19-12/h6,10H,5,13H2,1-4H3,(H,14,18)(H,15,17)/t10-/m0/s1
InChIKeyPPQIMHLHLIPPQV-JTQLQIEISA-N
MW268.32 g/mol
LogP0.33
Rot. Bonds5

About (2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82961403) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82961403
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name(2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCc1noc(NC(=O)CNC(=O)[C@@H](N)C(C)C)c1C
InChIInChI=1S/C12H20N4O3/c1-6(2)10(13)11(18)14-5-9(17)15-12-7(3)8(4)16-19-12/h6,10H,5,13H2,1-4H3,(H,14,18)(H,15,17)/t10-/m0/s1
InChIKeyPPQIMHLHLIPPQV-JTQLQIEISA-N
XLogP0.33
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide with MolForge

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Related Compounds

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide
CID 80544913
(2S)-2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbutanamide
CID 119320910
(2S)-2-amino-3-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 82962341
(2S)-2-amino-N-[2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl]-3-methylbutanamide
CID 107574189
4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide
CID 65487579
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide
CID 104919515
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea
CID 115672493
propan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate
CID 116656454
(2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104619280
(2S)-2-amino-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 81424178
(2R)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide
CID 65487960

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide (CID 82961403) is (2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide is Cc1noc(NC(=O)CNC(=O)[C@@H](N)C(C)C)c1C.
What is the InChIKey of (2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is PPQIMHLHLIPPQV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O3/c1-6(2)10(13)11(18)14-5-9(17)15-12-7(3)8(4)16-19-12/h6,10H,5,13H2,1-4H3,(H,14,18)(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 268.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82961403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).