[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate

C19H24N2O4 — CID 3482159

IUPAC[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate
SMILESCCCCCCCC(=O)Oc1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C19H24N2O4/c1-3-4-5-6-7-8-18(22)24-16-11-9-15(10-12-16)19(23)20-17-13-14(2)25-21-17/h9-13H,3-8H2,1-2H3,(H,20,21,23)
InChIKeySGVFTWBVABCADA-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.50
Rot. Bonds9

About [4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate

[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate (PubChem CID 3482159) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate.

Molecular Properties

Compound Name[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate
PubChem CID3482159
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate
SMILESCCCCCCCC(=O)Oc1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C19H24N2O4/c1-3-4-5-6-7-8-18(22)24-16-11-9-15(10-12-16)19(23)20-17-13-14(2)25-21-17/h9-13H,3-8H2,1-2H3,(H,20,21,23)
InChIKeySGVFTWBVABCADA-UHFFFAOYSA-N
XLogP4.50
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate?
The IUPAC name of [4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate (CID 3482159) is [4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate.
What is the SMILES notation for [4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate?
The canonical SMILES for [4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate is CCCCCCCC(=O)Oc1ccc(C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of [4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate?
The InChIKey is SGVFTWBVABCADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-4-5-6-7-8-18(22)24-16-11-9-15(10-12-16)19(23)20-17-13-14(2)25-21-17/h9-13H,3-8H2,1-2H3,(H,20,21,23).
What are the key properties of [4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate?
[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate has a molecular weight of 344.41 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] octanoate is sourced from PubChem (CID 3482159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).