2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid

C12H13N3O4 — CID 79331330

IUPAC2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid
SMILESCc1cc(CNC(=O)c2cccn2CC(=O)O)no1
InChIInChI=1S/C12H13N3O4/c1-8-5-9(14-19-8)6-13-12(18)10-3-2-4-15(10)7-11(16)17/h2-5H,6-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyZIDASSIIWDPMAS-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.80
Rot. Bonds5

About 2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid

2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79331330) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79331330
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid
SMILESCc1cc(CNC(=O)c2cccn2CC(=O)O)no1
InChIInChI=1S/C12H13N3O4/c1-8-5-9(14-19-8)6-13-12(18)10-3-2-4-15(10)7-11(16)17/h2-5H,6-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyZIDASSIIWDPMAS-UHFFFAOYSA-N
XLogP0.80
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321
2-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrrol-1-yl]acetic acid
CID 79330519
6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 55052384
2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79321753
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 104938925
5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 47399039
3-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 113447693
3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62181201
2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 102700126
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide
CID 47398777
2-hydroxy-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47398917

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid (CID 79331330) is 2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid is Cc1cc(CNC(=O)c2cccn2CC(=O)O)no1.
What is the InChIKey of 2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is ZIDASSIIWDPMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-8-5-9(14-19-8)6-13-12(18)10-3-2-4-15(10)7-11(16)17/h2-5H,6-7H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 263.25 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79331330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).