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

C10H17N3O2 — CID 103797057

IUPAC(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
SMILESCc1cnc(CNC(=O)[C@@H](N)C(C)C)o1
InChIInChI=1S/C10H17N3O2/c1-6(2)9(11)10(14)13-5-8-12-4-7(3)15-8/h4,6,9H,5,11H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyDHDQNPRKMLSXCZ-VIFPVBQESA-N
MW211.26 g/mol
LogP0.58
Rot. Bonds4

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

(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide (PubChem CID 103797057) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
PubChem CID103797057
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
SMILESCc1cnc(CNC(=O)[C@@H](N)C(C)C)o1
InChIInChI=1S/C10H17N3O2/c1-6(2)9(11)10(14)13-5-8-12-4-7(3)15-8/h4,6,9H,5,11H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyDHDQNPRKMLSXCZ-VIFPVBQESA-N
XLogP0.58
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047
2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106372293
2-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371516
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 103827683
2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 113266895
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride
CID 119861837
3-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexanamide
CID 106371365
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 114180578
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
CID 106374475

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide (CID 103797057) is (2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide is Cc1cnc(CNC(=O)[C@@H](N)C(C)C)o1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide?
The InChIKey is DHDQNPRKMLSXCZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(2)9(11)10(14)13-5-8-12-4-7(3)15-8/h4,6,9H,5,11H2,1-3H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide?
(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide has a molecular weight of 211.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide is sourced from PubChem (CID 103797057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).