6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid

C13H19N3O5 — CID 106388731

IUPAC6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid
SMILESCc1cnc(C(C)NC(=O)NC(=O)CCCCC(=O)O)o1
InChIInChI=1S/C13H19N3O5/c1-8-7-14-12(21-8)9(2)15-13(20)16-10(17)5-3-4-6-11(18)19/h7,9H,3-6H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyCOVYBGYZMSWTMB-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.51
Rot. Bonds7

About 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid

6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid (PubChem CID 106388731) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid
PubChem CID106388731
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid
SMILESCc1cnc(C(C)NC(=O)NC(=O)CCCCC(=O)O)o1
InChIInChI=1S/C13H19N3O5/c1-8-7-14-12(21-8)9(2)15-13(20)16-10(17)5-3-4-6-11(18)19/h7,9H,3-6H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyCOVYBGYZMSWTMB-UHFFFAOYSA-N
XLogP1.51
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 106388099
(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid
CID 106389255
3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 106389285
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389320
(2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 114182493
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 104920659
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
2-anilino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 106388442
1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103947062
3-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 106388299

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid (CID 106388731) is 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid is Cc1cnc(C(C)NC(=O)NC(=O)CCCCC(=O)O)o1.
What is the InChIKey of 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid?
The InChIKey is COVYBGYZMSWTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-8-7-14-12(21-8)9(2)15-13(20)16-10(17)5-3-4-6-11(18)19/h7,9H,3-6H2,1-2H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid?
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid has a molecular weight of 297.31 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid is sourced from PubChem (CID 106388731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).