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

C14H14N2O5 — CID 66155943

IUPAC2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid
SMILESCOCc1cc(C(=O)Nc2cccc(CC(=O)O)c2)no1
InChIInChI=1S/C14H14N2O5/c1-20-8-11-7-12(16-21-11)14(19)15-10-4-2-3-9(5-10)6-13(17)18/h2-5,7H,6,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyXOYVPTSCFPOTQH-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.70
Rot. Bonds6

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

2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid (PubChem CID 66155943) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid
PubChem CID66155943
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid
SMILESCOCc1cc(C(=O)Nc2cccc(CC(=O)O)c2)no1
InChIInChI=1S/C14H14N2O5/c1-20-8-11-7-12(16-21-11)14(19)15-10-4-2-3-9(5-10)6-13(17)18/h2-5,7H,6,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyXOYVPTSCFPOTQH-UHFFFAOYSA-N
XLogP1.70
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158532
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 65345876
3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid
CID 107047018
2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid
CID 65345747
2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid
CID 65346215
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
CID 65345833
5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 66157733
2-[3-(3-methoxypropylcarbamoylamino)phenyl]acetic acid
CID 65345451
2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 81456260
N-[2-(ethylaminomethyl)phenyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156185
2-[4-[[3-(methoxymethyl)phenyl]carbamoyl]triazol-1-yl]acetic acid
CID 66290006

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid (CID 66155943) is 2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid is COCc1cc(C(=O)Nc2cccc(CC(=O)O)c2)no1.
What is the InChIKey of 2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid?
The InChIKey is XOYVPTSCFPOTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-20-8-11-7-12(16-21-11)14(19)15-10-4-2-3-9(5-10)6-13(17)18/h2-5,7H,6,8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid?
2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid has a molecular weight of 290.28 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 66155943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).