N-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide

C15H18N2O4 — CID 126839331

IUPACN-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCOCOCCCNC(=O)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C15H18N2O4/c1-19-11-20-9-5-8-16-14(18)13-10-17-15(21-13)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,16,18)
InChIKeyMOIVMUBTVXPBJC-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.08
Rot. Bonds8

About N-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide

N-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 126839331) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide
PubChem CID126839331
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCOCOCCCNC(=O)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C15H18N2O4/c1-19-11-20-9-5-8-16-14(18)13-10-17-15(21-13)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,16,18)
InChIKeyMOIVMUBTVXPBJC-UHFFFAOYSA-N
XLogP2.08
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide (CID 126839331) is N-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide is COCOCCCNC(=O)c1cnc(-c2ccccc2)o1.
What is the InChIKey of N-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is MOIVMUBTVXPBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-19-11-20-9-5-8-16-14(18)13-10-17-15(21-13)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,16,18).
What are the key properties of N-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide?
N-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethoxy)propyl]-2-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 126839331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).