(2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide

C11H16N4O4 — CID 58709460

IUPAC(2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide
SMILESCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1cc(C)no1
InChIInChI=1S/C11H16N4O4/c1-6-3-7(19-15-6)4-10(17)14-8(5-9(12)16)11(18)13-2/h3,8H,4-5H2,1-2H3,(H2,12,16)(H,13,18)(H,14,17)/t8-/m0/s1
InChIKeyQNYBHIOCPJGLEO-QMMMGPOBSA-N
MW268.27 g/mol
LogP-1.37
Rot. Bonds6

About (2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide

(2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide (PubChem CID 58709460) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide
PubChem CID58709460
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name(2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide
SMILESCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1cc(C)no1
InChIInChI=1S/C11H16N4O4/c1-6-3-7(19-15-6)4-10(17)14-8(5-9(12)16)11(18)13-2/h3,8H,4-5H2,1-2H3,(H2,12,16)(H,13,18)(H,14,17)/t8-/m0/s1
InChIKeyQNYBHIOCPJGLEO-QMMMGPOBSA-N
XLogP-1.37
TPSA127.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide;hydrochloride
CID 66651040
(2S)-2-[[2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetyl]amino]-N-methylbutanediamide
CID 58709586
(2S)-2-[[2-(2-ethenylphenyl)acetyl]amino]-N-methylbutanediamide;methanamine
CID 162183869
(2S)-N-methyl-2-[[2-(3-phenylphenoxy)acetyl]amino]butanediamide
CID 58709545
N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 67575573
(2S)-N-methyl-2-[[2-[1-(2-methylpropyl)-5-phenylpyrazol-3-yl]acetyl]amino]butanediamide
CID 58709557
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
cyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea
CID 164880052
2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide
CID 164879655
3-chloro-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 62726666
(2S)-2-[[2-(benzimidazol-1-yl)acetyl]amino]-N-methylbutanediamide
CID 58709539
N-cyclopropyl-2-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]phenyl]acetamide
CID 131897959

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide?
The IUPAC name of (2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide (CID 58709460) is (2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide.
What is the SMILES notation for (2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide?
The canonical SMILES for (2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide is CNC(=O)[C@H](CC(N)=O)NC(=O)Cc1cc(C)no1.
What is the InChIKey of (2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide?
The InChIKey is QNYBHIOCPJGLEO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-6-3-7(19-15-6)4-10(17)14-8(5-9(12)16)11(18)13-2/h3,8H,4-5H2,1-2H3,(H2,12,16)(H,13,18)(H,14,17)/t8-/m0/s1.
What are the key properties of (2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide?
(2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide has a molecular weight of 268.27 g/mol, XLogP of -1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]butanediamide is sourced from PubChem (CID 58709460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).