2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid

C12H16N2O4 — CID 119217767

IUPAC2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid
SMILESCCc1ocnc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H16N2O4/c1-2-8-10(13-7-18-8)11(17)14-12(4-3-5-12)6-9(15)16/h7H,2-6H2,1H3,(H,14,17)(H,15,16)
InChIKeyKXQIPOFYQDDWAO-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.36
Rot. Bonds5

About 2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 119217767) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID119217767
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid
SMILESCCc1ocnc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H16N2O4/c1-2-8-10(13-7-18-8)11(17)14-12(4-3-5-12)6-9(15)16/h7H,2-6H2,1H3,(H,14,17)(H,15,16)
InChIKeyKXQIPOFYQDDWAO-UHFFFAOYSA-N
XLogP1.36
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119168058
5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide
CID 139008423
2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 120686844
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79849172
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017
2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid
CID 79848305
2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 102810261
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid (CID 119217767) is 2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid is CCc1ocnc1C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is KXQIPOFYQDDWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-8-10(13-7-18-8)11(17)14-12(4-3-5-12)6-9(15)16/h7H,2-6H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).