2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid

C13H13N3O4 — CID 106420891

IUPAC2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid
SMILESO=C(NCc1ccno1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H13N3O4/c17-12(18)11(9-4-2-1-3-5-9)16-13(19)14-8-10-6-7-15-20-10/h1-7,11H,8H2,(H,17,18)(H2,14,16,19)
InChIKeyOLZWTXAIQWYQOJ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.30
Rot. Bonds5

About 2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid

2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid (PubChem CID 106420891) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid
PubChem CID106420891
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid
SMILESO=C(NCc1ccno1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H13N3O4/c17-12(18)11(9-4-2-1-3-5-9)16-13(19)14-8-10-6-7-15-20-10/h1-7,11H,8H2,(H,17,18)(H2,14,16,19)
InChIKeyOLZWTXAIQWYQOJ-UHFFFAOYSA-N
XLogP1.30
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974
3,3-dimethyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421303
(2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106421305
(2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
CID 106421211
(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61194297
(2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421210
3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
CID 114186675
(2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
CID 106421215
(2S)-2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-phenylacetic acid
CID 103995699
(2R)-2-(3-fluoropropylcarbamoylamino)-2-phenylacetic acid
CID 113364436
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
CID 106423406

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid?
The IUPAC name of 2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid (CID 106420891) is 2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid is O=C(NCc1ccno1)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid?
The InChIKey is OLZWTXAIQWYQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-12(18)11(9-4-2-1-3-5-9)16-13(19)14-8-10-6-7-15-20-10/h1-7,11H,8H2,(H,17,18)(H2,14,16,19).
What are the key properties of 2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid?
2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid has a molecular weight of 275.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 106420891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).