2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid

C7H8N2O5 — CID 120513531

IUPAC2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
SMILESCOc1cc(C(=O)NCC(=O)O)on1
InChIInChI=1S/C7H8N2O5/c1-13-5-2-4(14-9-5)7(12)8-3-6(10)11/h2H,3H2,1H3,(H,8,12)(H,10,11)
InChIKeyCDSVSIXQMFJVPC-UHFFFAOYSA-N
MW200.15 g/mol
LogP-0.50
Rot. Bonds4

About 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid

2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid (PubChem CID 120513531) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
PubChem CID120513531
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Name2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
SMILESCOc1cc(C(=O)NCC(=O)O)on1
InChIInChI=1S/C7H8N2O5/c1-13-5-2-4(14-9-5)7(12)8-3-6(10)11/h2H,3H2,1H3,(H,8,12)(H,10,11)
InChIKeyCDSVSIXQMFJVPC-UHFFFAOYSA-N
XLogP-0.50
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 137394958
3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 75455329
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701525
3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520012
N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802436
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802444
methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate
CID 15923592
3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 97351811
3-methoxy-N-(2,4,6-trimethylphenyl)-1,2-oxazole-5-carboxamide
CID 90573885
N-cyclopentyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573780

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid (CID 120513531) is 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid is COc1cc(C(=O)NCC(=O)O)on1.
What is the InChIKey of 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid?
The InChIKey is CDSVSIXQMFJVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c1-13-5-2-4(14-9-5)7(12)8-3-6(10)11/h2H,3H2,1H3,(H,8,12)(H,10,11).
What are the key properties of 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid?
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid has a molecular weight of 200.15 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 120513531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).