2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid

C16H24N2O5 — CID 119215799

IUPAC2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCCC(CC)c1cc(C(=O)NC2(CC(=O)O)CCOCC2)on1
InChIInChI=1S/C16H24N2O5/c1-3-11(4-2)12-9-13(23-18-12)15(21)17-16(10-14(19)20)5-7-22-8-6-16/h9,11H,3-8,10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyLJIMLHRPAYVTIR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.33
Rot. Bonds7

About 2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid

2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid (PubChem CID 119215799) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid
PubChem CID119215799
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCCC(CC)c1cc(C(=O)NC2(CC(=O)O)CCOCC2)on1
InChIInChI=1S/C16H24N2O5/c1-3-11(4-2)12-9-13(23-18-12)15(21)17-16(10-14(19)20)5-7-22-8-6-16/h9,11H,3-8,10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyLJIMLHRPAYVTIR-UHFFFAOYSA-N
XLogP2.33
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid with MolForge

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119565191
2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520
N-[(1-hydroxycyclobutyl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111539650
2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119225874
2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119250422
2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 119199841
N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119429935
2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214844
N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111484714
3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119212226
2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215386
2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119214727

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid (CID 119215799) is 2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid is CCC(CC)c1cc(C(=O)NC2(CC(=O)O)CCOCC2)on1.
What is the InChIKey of 2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The InChIKey is LJIMLHRPAYVTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-3-11(4-2)12-9-13(23-18-12)15(21)17-16(10-14(19)20)5-7-22-8-6-16/h9,11H,3-8,10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid has a molecular weight of 324.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119215799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).