7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid

C14H22N2O4 — CID 119227538

IUPAC7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid
SMILESCC(C)c1cc(C(=O)NCCCCCCC(=O)O)on1
InChIInChI=1S/C14H22N2O4/c1-10(2)11-9-12(20-16-11)14(19)15-8-6-4-3-5-7-13(17)18/h9-10H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPNSDKKKXWZMZKK-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.56
Rot. Bonds9

About 7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid

7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid (PubChem CID 119227538) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid
PubChem CID119227538
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid
SMILESCC(C)c1cc(C(=O)NCCCCCCC(=O)O)on1
InChIInChI=1S/C14H22N2O4/c1-10(2)11-9-12(20-16-11)14(19)15-8-6-4-3-5-7-13(17)18/h9-10H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPNSDKKKXWZMZKK-UHFFFAOYSA-N
XLogP2.56
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.56
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

5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 167823460
4-[2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 119168836
N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86948250
N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 70782360
N-[3-(benzotriazol-1-yl)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 74232653
N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119429935
N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86948151
8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid
CID 120535642
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
(2S)-4-methyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119360862
2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 120701444

Frequently Asked Questions

What is the IUPAC name of 7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid (CID 119227538) is 7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid is CC(C)c1cc(C(=O)NCCCCCCC(=O)O)on1.
What is the InChIKey of 7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid?
The InChIKey is PNSDKKKXWZMZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(2)11-9-12(20-16-11)14(19)15-8-6-4-3-5-7-13(17)18/h9-10H,3-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid?
7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 119227538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).