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

C10H16N4O3 — CID 106370829

IUPAC2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide
SMILESCCc1cnc(CNC(=O)C(N)CC(N)=O)o1
InChIInChI=1S/C10H16N4O3/c1-2-6-4-13-9(17-6)5-14-10(16)7(11)3-8(12)15/h4,7H,2-3,5,11H2,1H3,(H2,12,15)(H,14,16)
InChIKeyPLYCTQFACQENOQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.94
Rot. Bonds6

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

2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide (PubChem CID 106370829) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide
PubChem CID106370829
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide
SMILESCCc1cnc(CNC(=O)C(N)CC(N)=O)o1
InChIInChI=1S/C10H16N4O3/c1-2-6-4-13-9(17-6)5-14-10(16)7(11)3-8(12)15/h4,7H,2-3,5,11H2,1H3,(H2,12,15)(H,14,16)
InChIKeyPLYCTQFACQENOQ-UHFFFAOYSA-N
XLogP-0.94
TPSA124.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 103827683
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid
CID 106371131
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
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
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide
CID 106371045
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 106371196
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide?
The IUPAC name of 2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide (CID 106370829) is 2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide.
What is the SMILES notation for 2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide?
The canonical SMILES for 2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide is CCc1cnc(CNC(=O)C(N)CC(N)=O)o1.
What is the InChIKey of 2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide?
The InChIKey is PLYCTQFACQENOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-6-4-13-9(17-6)5-14-10(16)7(11)3-8(12)15/h4,7H,2-3,5,11H2,1H3,(H2,12,15)(H,14,16).
What are the key properties of 2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide?
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide has a molecular weight of 240.26 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide is sourced from PubChem (CID 106370829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).