N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide

C17H22N2O4 — CID 10426019

IUPACN-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide
SMILESCOc1ccc(-c2cnc(CCCCCCC(=O)NO)o2)cc1
InChIInChI=1S/C17H22N2O4/c1-22-14-10-8-13(9-11-14)15-12-18-17(23-15)7-5-3-2-4-6-16(20)19-21/h8-12,21H,2-7H2,1H3,(H,19,20)
InChIKeyAUANVRBPOLZCCX-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.35
Rot. Bonds9

About N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide

N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide (PubChem CID 10426019) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide
PubChem CID10426019
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide
SMILESCOc1ccc(-c2cnc(CCCCCCC(=O)NO)o2)cc1
InChIInChI=1S/C17H22N2O4/c1-22-14-10-8-13(9-11-14)15-12-18-17(23-15)7-5-3-2-4-6-16(20)19-21/h8-12,21H,2-7H2,1H3,(H,19,20)
InChIKeyAUANVRBPOLZCCX-UHFFFAOYSA-N
XLogP3.35
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide (CID 10426019) is N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide is COc1ccc(-c2cnc(CCCCCCC(=O)NO)o2)cc1.
What is the InChIKey of N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide?
The InChIKey is AUANVRBPOLZCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-14-10-8-13(9-11-14)15-12-18-17(23-15)7-5-3-2-4-6-16(20)19-21/h8-12,21H,2-7H2,1H3,(H,19,20).
What are the key properties of N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide?
N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide has a molecular weight of 318.37 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide is sourced from PubChem (CID 10426019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).