8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid

C19H24N2O4 — CID 120535696

IUPAC8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid
SMILESCc1nc(C(=O)NCCCCCCCC(=O)O)c(-c2ccccc2)o1
InChIInChI=1S/C19H24N2O4/c1-14-21-17(18(25-14)15-10-6-5-7-11-15)19(24)20-13-9-4-2-3-8-12-16(22)23/h5-7,10-11H,2-4,8-9,12-13H2,1H3,(H,20,24)(H,22,23)
InChIKeyBCTVSDGFSSUSML-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.81
Rot. Bonds10

About 8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid

8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid (PubChem CID 120535696) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid
PubChem CID120535696
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid
SMILESCc1nc(C(=O)NCCCCCCCC(=O)O)c(-c2ccccc2)o1
InChIInChI=1S/C19H24N2O4/c1-14-21-17(18(25-14)15-10-6-5-7-11-15)19(24)20-13-9-4-2-3-8-12-16(22)23/h5-7,10-11H,2-4,8-9,12-13H2,1H3,(H,20,24)(H,22,23)
InChIKeyBCTVSDGFSSUSML-UHFFFAOYSA-N
XLogP3.81
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid
CID 120535627
2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 19768798
6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid
CID 119352194
N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 53382909
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 142317072
4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 81364652
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid?
The IUPAC name of 8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid (CID 120535696) is 8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid.
What is the SMILES notation for 8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid?
The canonical SMILES for 8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid is Cc1nc(C(=O)NCCCCCCCC(=O)O)c(-c2ccccc2)o1.
What is the InChIKey of 8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid?
The InChIKey is BCTVSDGFSSUSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-14-21-17(18(25-14)15-10-6-5-7-11-15)19(24)20-13-9-4-2-3-8-12-16(22)23/h5-7,10-11H,2-4,8-9,12-13H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid?
8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid has a molecular weight of 344.41 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid is sourced from PubChem (CID 120535696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).