(2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide

C10H17N3O2S — CID 104908294

IUPAC(2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCc1cc(C)on1
InChIInChI=1S/C10H17N3O2S/c1-7-5-8(13-15-7)6-12-10(14)9(11)3-4-16-2/h5,9H,3-4,6,11H2,1-2H3,(H,12,14)/t9-/m1/s1
InChIKeyXHCOGZPNVFHKPD-SECBINFHSA-N
MW243.33 g/mol
LogP0.68
Rot. Bonds6

About (2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide

(2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide (PubChem CID 104908294) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is (2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide
PubChem CID104908294
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name(2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCc1cc(C)on1
InChIInChI=1S/C10H17N3O2S/c1-7-5-8(13-15-7)6-12-10(14)9(11)3-4-16-2/h5,9H,3-4,6,11H2,1-2H3,(H,12,14)/t9-/m1/s1
InChIKeyXHCOGZPNVFHKPD-SECBINFHSA-N
XLogP0.68
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 104908213
2-amino-3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 76923478
(2S)-2-amino-4-methylsulfanyl-N-(1,2-oxazol-5-ylmethyl)butanamide
CID 106417251
(2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 104908447
(2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 22690032
(2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 104908214
(2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 95170555
(2S)-2-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-methylsulfanylbutanamide
CID 99815752
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2S)-2-amino-N-[(4-aminophenyl)methyl]-4-methylsulfanylbutanamide
CID 23598003
(2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide
CID 104909117
(2S)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-4-methylsulfanylbutanamide
CID 104941423

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide (CID 104908294) is (2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NCc1cc(C)on1.
What is the InChIKey of (2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide?
The InChIKey is XHCOGZPNVFHKPD-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7-5-8(13-15-7)6-12-10(14)9(11)3-4-16-2/h5,9H,3-4,6,11H2,1-2H3,(H,12,14)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide?
(2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide has a molecular weight of 243.33 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).