4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid

C13H10N4O3 — CID 106419238

IUPAC4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1NCc1ccno1
InChIInChI=1S/C13H10N4O3/c18-13(19)12-11(14-7-8-5-6-15-20-8)9-3-1-2-4-10(9)16-17-12/h1-6H,7H2,(H,14,16)(H,18,19)
InChIKeyLFRPPXXZTQEYJY-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.93
Rot. Bonds4

About 4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid

4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid (PubChem CID 106419238) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid
PubChem CID106419238
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1NCc1ccno1
InChIInChI=1S/C13H10N4O3/c18-13(19)12-11(14-7-8-5-6-15-20-8)9-3-1-2-4-10(9)16-17-12/h1-6H,7H2,(H,14,16)(H,18,19)
InChIKeyLFRPPXXZTQEYJY-UHFFFAOYSA-N
XLogP1.93
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,2-dimethylpropylamino)cinnoline-3-carboxylic acid
CID 64622283
4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine
CID 114185848
N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine
CID 114186432
4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid
CID 64622277
4-(3-sulfamoylpropylamino)cinnoline-3-carboxylic acid
CID 64623944
4-[(2-methyl-3-methylsulfanylpropyl)amino]cinnoline-3-carboxylic acid
CID 64622920
4-(pentan-3-ylamino)cinnoline-3-carboxylic acid
CID 64625155
4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid
CID 64623948
4-[(2-hydroxy-3-methoxypropyl)amino]cinnoline-3-carboxylic acid
CID 64623751
4-[(5-hydroxy-4-methylpentyl)amino]cinnoline-3-carboxylic acid
CID 106161885
2-(1,2-oxazol-5-ylmethylamino)quinoline-4-carbothioamide
CID 106418218
4-(3-methylbutan-2-ylamino)cinnoline-3-carboxylic acid
CID 64623106

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid?
The IUPAC name of 4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid (CID 106419238) is 4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid?
The canonical SMILES for 4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid is O=C(O)c1nnc2ccccc2c1NCc1ccno1.
What is the InChIKey of 4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid?
The InChIKey is LFRPPXXZTQEYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-13(19)12-11(14-7-8-5-6-15-20-8)9-3-1-2-4-10(9)16-17-12/h1-6H,7H2,(H,14,16)(H,18,19).
What are the key properties of 4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid?
4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid has a molecular weight of 270.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-5-ylmethylamino)cinnoline-3-carboxylic acid is sourced from PubChem (CID 106419238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).