3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide

C15H16N4O3 — CID 68866528

IUPAC3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C2=NCCN2C)ccc1-c1cc(C(N)=O)on1
InChIInChI=1S/C15H16N4O3/c1-19-6-5-17-15(19)9-3-4-10(12(7-9)21-2)11-8-13(14(16)20)22-18-11/h3-4,7-8H,5-6H2,1-2H3,(H2,16,20)
InChIKeyRRDNMZZRKNNTJW-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.14
Rot. Bonds4

About 3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide

3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 68866528) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID68866528
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C2=NCCN2C)ccc1-c1cc(C(N)=O)on1
InChIInChI=1S/C15H16N4O3/c1-19-6-5-17-15(19)9-3-4-10(12(7-9)21-2)11-8-13(14(16)20)22-18-11/h3-4,7-8H,5-6H2,1-2H3,(H2,16,20)
InChIKeyRRDNMZZRKNNTJW-UHFFFAOYSA-N
XLogP1.14
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide (CID 68866528) is 3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide is COc1cc(C2=NCCN2C)ccc1-c1cc(C(N)=O)on1.
What is the InChIKey of 3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is RRDNMZZRKNNTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-19-6-5-17-15(19)9-3-4-10(12(7-9)21-2)11-8-13(14(16)20)22-18-11/h3-4,7-8H,5-6H2,1-2H3,(H2,16,20).
What are the key properties of 3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 68866528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).