2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid

C14H15N3O4 — CID 106373959

IUPAC2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid
SMILESCCc1cnc(CNC(=O)Nc2ccccc2C(=O)O)o1
InChIInChI=1S/C14H15N3O4/c1-2-9-7-15-12(21-9)8-16-14(20)17-11-6-4-3-5-10(11)13(18)19/h3-7H,2,8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyXMZKEVMVFQBUCK-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.26
Rot. Bonds5

About 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid

2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid (PubChem CID 106373959) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid
PubChem CID106373959
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid
SMILESCCc1cnc(CNC(=O)Nc2ccccc2C(=O)O)o1
InChIInChI=1S/C14H15N3O4/c1-2-9-7-15-12(21-9)8-16-14(20)17-11-6-4-3-5-10(11)13(18)19/h3-7H,2,8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyXMZKEVMVFQBUCK-UHFFFAOYSA-N
XLogP2.26
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 106374332
1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
CID 106373291
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 154839750
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 87007829
(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
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106377749
2-(2-aminophenoxy)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368467
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370575

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid?
The IUPAC name of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid (CID 106373959) is 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid.
What is the SMILES notation for 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid?
The canonical SMILES for 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid is CCc1cnc(CNC(=O)Nc2ccccc2C(=O)O)o1.
What is the InChIKey of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid?
The InChIKey is XMZKEVMVFQBUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-9-7-15-12(21-9)8-16-14(20)17-11-6-4-3-5-10(11)13(18)19/h3-7H,2,8H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid?
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid has a molecular weight of 289.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid is sourced from PubChem (CID 106373959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).