4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid

C9H11N3O5 — CID 28746271

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid
SMILESCc1cc(NC(=O)NC(=O)CCC(=O)O)no1
InChIInChI=1S/C9H11N3O5/c1-5-4-6(12-17-5)10-9(16)11-7(13)2-3-8(14)15/h4H,2-3H2,1H3,(H,14,15)(H2,10,11,12,13,16)
InChIKeyUCLDWZLPDIMGFM-UHFFFAOYSA-N
MW241.20 g/mol
LogP0.50
Rot. Bonds4

About 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid

4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid (PubChem CID 28746271) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid
PubChem CID28746271
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid
SMILESCc1cc(NC(=O)NC(=O)CCC(=O)O)no1
InChIInChI=1S/C9H11N3O5/c1-5-4-6(12-17-5)10-9(16)11-7(13)2-3-8(14)15/h4H,2-3H2,1H3,(H,14,15)(H2,10,11,12,13,16)
InChIKeyUCLDWZLPDIMGFM-UHFFFAOYSA-N
XLogP0.50
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 43465797
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 63645461
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 2777055
2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 54900050
ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate
CID 108812202
2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetic acid
CID 119171544
3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid
CID 130735467
2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 80723767
N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 863139
1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108895478

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid (CID 28746271) is 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid is Cc1cc(NC(=O)NC(=O)CCC(=O)O)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid?
The InChIKey is UCLDWZLPDIMGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-5-4-6(12-17-5)10-9(16)11-7(13)2-3-8(14)15/h4H,2-3H2,1H3,(H,14,15)(H2,10,11,12,13,16).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid?
4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid has a molecular weight of 241.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 28746271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).