N-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide

C21H27N3O4 — CID 5271237

IUPACN-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cc(C2=NCCO2)ccc1OCCCCCc1cc(C)no1
InChIInChI=1S/C21H27N3O4/c1-3-20(25)23-18-14-16(21-22-10-12-27-21)8-9-19(18)26-11-6-4-5-7-17-13-15(2)24-28-17/h8-9,13-14H,3-7,10-12H2,1-2H3,(H,23,25)
InChIKeyKYMXFNRTZLHYDV-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.90
Rot. Bonds10

About N-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide

N-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide (PubChem CID 5271237) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide
PubChem CID5271237
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cc(C2=NCCO2)ccc1OCCCCCc1cc(C)no1
InChIInChI=1S/C21H27N3O4/c1-3-20(25)23-18-14-16(21-22-10-12-27-21)8-9-19(18)26-11-6-4-5-7-17-13-15(2)24-28-17/h8-9,13-14H,3-7,10-12H2,1-2H3,(H,23,25)
InChIKeyKYMXFNRTZLHYDV-UHFFFAOYSA-N
XLogP3.90
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide?
The IUPAC name of N-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide (CID 5271237) is N-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide.
What is the SMILES notation for N-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide?
The canonical SMILES for N-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide is CCC(=O)Nc1cc(C2=NCCO2)ccc1OCCCCCc1cc(C)no1.
What is the InChIKey of N-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide?
The InChIKey is KYMXFNRTZLHYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-3-20(25)23-18-14-16(21-22-10-12-27-21)8-9-19(18)26-11-6-4-5-7-17-13-15(2)24-28-17/h8-9,13-14H,3-7,10-12H2,1-2H3,(H,23,25).
What are the key properties of N-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide?
N-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide has a molecular weight of 385.46 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide is sourced from PubChem (CID 5271237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).