2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid

C15H18N2O5 — CID 126840551

IUPAC2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid
SMILESCCc1nocc1CN(C)C(=O)c1c(C)coc1CC(=O)O
InChIInChI=1S/C15H18N2O5/c1-4-11-10(8-22-16-11)6-17(3)15(20)14-9(2)7-21-12(14)5-13(18)19/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKeyQJFSGEYTXLNULE-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.04
Rot. Bonds6

About 2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid

2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid (PubChem CID 126840551) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid
PubChem CID126840551
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid
SMILESCCc1nocc1CN(C)C(=O)c1c(C)coc1CC(=O)O
InChIInChI=1S/C15H18N2O5/c1-4-11-10(8-22-16-11)6-17(3)15(20)14-9(2)7-21-12(14)5-13(18)19/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKeyQJFSGEYTXLNULE-UHFFFAOYSA-N
XLogP2.04
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 154766261
3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid
CID 82597900
2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide
CID 122149596
6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 136545370
N-ethyl-N,2,4-trimethylfuran-3-carboxamide
CID 131084548
3-ethyl-N-(furan-3-ylmethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 74250183
tert-butyl N-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate
CID 154795670
2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid
CID 105422708
4-ethyl-1,2-oxazole-3-carboxylic acid
CID 53421780
(2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 164643421
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60831703
3-(4-propyl-1,2-oxazol-3-yl)propanoic acid
CID 105422800

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid?
The IUPAC name of 2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid (CID 126840551) is 2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid?
The canonical SMILES for 2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid is CCc1nocc1CN(C)C(=O)c1c(C)coc1CC(=O)O.
What is the InChIKey of 2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid?
The InChIKey is QJFSGEYTXLNULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-4-11-10(8-22-16-11)6-17(3)15(20)14-9(2)7-21-12(14)5-13(18)19/h7-8H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid?
2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid has a molecular weight of 306.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid is sourced from PubChem (CID 126840551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).