2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C14H18N2O4 — CID 79615365

IUPAC2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCc1cc(C(=O)N2C3CCC2CC(CC(=O)O)C3)no1
InChIInChI=1S/C14H18N2O4/c1-8-4-12(15-20-8)14(19)16-10-2-3-11(16)6-9(5-10)7-13(17)18/h4,9-11H,2-3,5-7H2,1H3,(H,17,18)
InChIKeyWANIUXLGDPKAAB-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.84
Rot. Bonds3

About 2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79615365) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79615365
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCc1cc(C(=O)N2C3CCC2CC(CC(=O)O)C3)no1
InChIInChI=1S/C14H18N2O4/c1-8-4-12(15-20-8)14(19)16-10-2-3-11(16)6-9(5-10)7-13(17)18/h4,9-11H,2-3,5-7H2,1H3,(H,17,18)
InChIKeyWANIUXLGDPKAAB-UHFFFAOYSA-N
XLogP1.84
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid with MolForge

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90615841
2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615573
2-[8-(1,3-thiazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615352
2-[8-(1,2-oxazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 115278684
2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79611880
2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79612210
2-[8-(2-hydroxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79612461
(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 72716281
2-[8-(5-methylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609055
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471

Frequently Asked Questions

What is the IUPAC name of 2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79615365) is 2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is Cc1cc(C(=O)N2C3CCC2CC(CC(=O)O)C3)no1.
What is the InChIKey of 2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is WANIUXLGDPKAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-4-12(15-20-8)14(19)16-10-2-3-11(16)6-9(5-10)7-13(17)18/h4,9-11H,2-3,5-7H2,1H3,(H,17,18).
What are the key properties of 2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79615365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).