2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid

C12H16N2O5 — CID 56905000

IUPAC2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid
SMILESCc1noc(C)c1C(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C12H16N2O5/c1-7-11(8(2)19-13-7)12(17)14-3-4-18-6-9(14)5-10(15)16/h9H,3-6H2,1-2H3,(H,15,16)
InChIKeyCXUSAWNQOHJDMW-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.61
Rot. Bonds3

About 2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid

2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 56905000) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid
PubChem CID56905000
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid
SMILESCc1noc(C)c1C(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C12H16N2O5/c1-7-11(8(2)19-13-7)12(17)14-3-4-18-6-9(14)5-10(15)16/h9H,3-6H2,1-2H3,(H,15,16)
InChIKeyCXUSAWNQOHJDMW-UHFFFAOYSA-N
XLogP0.61
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid (CID 56905000) is 2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid is Cc1noc(C)c1C(=O)N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is CXUSAWNQOHJDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7-11(8(2)19-13-7)12(17)14-3-4-18-6-9(14)5-10(15)16/h9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid?
2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 268.27 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 56905000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).