4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid

C13H13N3O5 — CID 106421198

IUPAC4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)NCc1ccno1
InChIInChI=1S/C13H13N3O5/c1-20-11-3-2-8(12(17)18)6-10(11)16-13(19)14-7-9-4-5-15-21-9/h2-6H,7H2,1H3,(H,17,18)(H2,14,16,19)
InChIKeyWTQFEOSAVDTJOH-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.70
Rot. Bonds5

About 4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid

4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid (PubChem CID 106421198) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid
PubChem CID106421198
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)NCc1ccno1
InChIInChI=1S/C13H13N3O5/c1-20-11-3-2-8(12(17)18)6-10(11)16-13(19)14-7-9-4-5-15-21-9/h2-6H,7H2,1H3,(H,17,18)(H2,14,16,19)
InChIKeyWTQFEOSAVDTJOH-UHFFFAOYSA-N
XLogP1.70
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(propylcarbamoylamino)benzoic acid
CID 63744455
4-methoxy-3-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 63742611
4-methoxy-3-(prop-2-enylcarbamoylamino)benzoic acid
CID 63742260
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-4-methoxybenzoic acid
CID 63744645
2-[(1,2-oxazol-5-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 106421045
4-methoxy-3-[(3-methoxy-2-methylpropyl)carbamoylamino]benzoic acid
CID 63744816
methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate
CID 118785711
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid
CID 106421055
4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 63743799
4-methoxy-3-(propylcarbamothioylamino)benzoic acid
CID 100555293
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid?
The IUPAC name of 4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid (CID 106421198) is 4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid?
The canonical SMILES for 4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid is COc1ccc(C(=O)O)cc1NC(=O)NCc1ccno1.
What is the InChIKey of 4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid?
The InChIKey is WTQFEOSAVDTJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-20-11-3-2-8(12(17)18)6-10(11)16-13(19)14-7-9-4-5-15-21-9/h2-6H,7H2,1H3,(H,17,18)(H2,14,16,19).
What are the key properties of 4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid?
4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid has a molecular weight of 291.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 106421198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).