2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid

C9H9N3O4 — CID 106373101

IUPAC2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid
SMILESCc1cnc(CNc2nc(C(=O)O)co2)o1
InChIInChI=1S/C9H9N3O4/c1-5-2-10-7(16-5)3-11-9-12-6(4-15-9)8(13)14/h2,4H,3H2,1H3,(H,11,12)(H,13,14)
InChIKeySFMCTCKGWZDIHU-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.28
Rot. Bonds4

About 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid

2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid (PubChem CID 106373101) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid
PubChem CID106373101
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid
SMILESCc1cnc(CNc2nc(C(=O)O)co2)o1
InChIInChI=1S/C9H9N3O4/c1-5-2-10-7(16-5)3-11-9-12-6(4-15-9)8(13)14/h2,4H,3H2,1H3,(H,11,12)(H,13,14)
InChIKeySFMCTCKGWZDIHU-UHFFFAOYSA-N
XLogP1.28
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106375912
4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid
CID 106377654
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 106373032
1-[(5-methyl-1,3-oxazol-2-yl)methylamino]isoquinoline-4-carboxylic acid
CID 106373085
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid
CID 106377656
1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one
CID 106373886
2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid
CID 166178227
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylacetamide
CID 110660350
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736691
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid
CID 114256011

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid (CID 106373101) is 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid is Cc1cnc(CNc2nc(C(=O)O)co2)o1.
What is the InChIKey of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is SFMCTCKGWZDIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-5-2-10-7(16-5)3-11-9-12-6(4-15-9)8(13)14/h2,4H,3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid?
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 223.19 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 106373101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).