7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid

C15H22N2O4 — CID 120524103

IUPAC7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid
SMILESCc1nc(C2CC2)oc1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-10-13(21-15(17-10)11-7-8-11)14(20)16-9-5-3-2-4-6-12(18)19/h11H,2-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyDTHSRVHTQKCLGO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.63
Rot. Bonds9

About 7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid

7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid (PubChem CID 120524103) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid
PubChem CID120524103
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid
SMILESCc1nc(C2CC2)oc1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-10-13(21-15(17-10)11-7-8-11)14(20)16-9-5-3-2-4-6-12(18)19/h11H,2-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyDTHSRVHTQKCLGO-UHFFFAOYSA-N
XLogP2.63
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.63
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

4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 81364652
3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120528887
7-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]heptanoic acid
CID 119227173
7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 119227413
N-[(1-carbamoylcyclopentyl)methyl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
CID 166212342
N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107318424
3-(4-bromophenyl)-3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 120516143
1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 120530085
6-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 75417868
8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid
CID 120535597
6-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 119219938
2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 164633710

Frequently Asked Questions

What is the IUPAC name of 7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid (CID 120524103) is 7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid is Cc1nc(C2CC2)oc1C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid?
The InChIKey is DTHSRVHTQKCLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-13(21-15(17-10)11-7-8-11)14(20)16-9-5-3-2-4-6-12(18)19/h11H,2-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid?
7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 120524103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).