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

C9H15N3O2 — CID 106371001

IUPAC(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCCc1cnc(CNC(=O)[C@H](C)N)o1
InChIInChI=1S/C9H15N3O2/c1-3-7-4-11-8(14-7)5-12-9(13)6(2)10/h4,6H,3,5,10H2,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyKIPVSMMEPQHTMF-LURJTMIESA-N
MW197.24 g/mol
LogP0.20
Rot. Bonds4

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

(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide (PubChem CID 106371001) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
PubChem CID106371001
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCCc1cnc(CNC(=O)[C@H](C)N)o1
InChIInChI=1S/C9H15N3O2/c1-3-7-4-11-8(14-7)5-12-9(13)6(2)10/h4,6H,3,5,10H2,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyKIPVSMMEPQHTMF-LURJTMIESA-N
XLogP0.20
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,3-dimethylbutanamide
CID 106370818
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
CID 106370868
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 106370829
6-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylheptanamide
CID 106371015
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106377749
4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid
CID 106371131
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246
(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 106374056
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide
CID 106370852
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide
CID 106371045
methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate
CID 106371286

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide (CID 106371001) is (2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide is CCc1cnc(CNC(=O)[C@H](C)N)o1.
What is the InChIKey of (2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide?
The InChIKey is KIPVSMMEPQHTMF-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-7-4-11-8(14-7)5-12-9(13)6(2)10/h4,6H,3,5,10H2,1-2H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide?
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide has a molecular weight of 197.24 g/mol, XLogP of 0.20, 4 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-ethyl-1,3-oxazol-2-yl)methyl]propanamide is sourced from PubChem (CID 106371001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).