N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide

C18H23N3O4 — CID 127051527

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide
SMILESCc1noc(C)c1-c1cccc(NC(=O)CCCCCC(=O)NO)c1
InChIInChI=1S/C18H23N3O4/c1-12-18(13(2)25-21-12)14-7-6-8-15(11-14)19-16(22)9-4-3-5-10-17(23)20-24/h6-8,11,24H,3-5,9-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAYZFKKHGXUUTCY-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.35
Rot. Bonds8

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide (PubChem CID 127051527) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide
PubChem CID127051527
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide
SMILESCc1noc(C)c1-c1cccc(NC(=O)CCCCCC(=O)NO)c1
InChIInChI=1S/C18H23N3O4/c1-12-18(13(2)25-21-12)14-7-6-8-15(11-14)19-16(22)9-4-3-5-10-17(23)20-24/h6-8,11,24H,3-5,9-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAYZFKKHGXUUTCY-UHFFFAOYSA-N
XLogP3.35
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.35
H-Bond Donors ≤ 53
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-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide (CID 127051527) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide is Cc1noc(C)c1-c1cccc(NC(=O)CCCCCC(=O)NO)c1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide?
The InChIKey is AYZFKKHGXUUTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12-18(13(2)25-21-12)14-7-6-8-15(11-14)19-16(22)9-4-3-5-10-17(23)20-24/h6-8,11,24H,3-5,9-10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide has a molecular weight of 345.40 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyheptanediamide is sourced from PubChem (CID 127051527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).