N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

C18H20N4O4 — CID 56707450

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C)ccc1OCc1cc(C(=O)NCCc2cnc[nH]2)no1
InChIInChI=1S/C18H20N4O4/c1-12-3-4-16(17(7-12)24-2)25-10-14-8-15(22-26-14)18(23)20-6-5-13-9-19-11-21-13/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyUIARLDZUOUCLHR-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.27
Rot. Bonds8

About N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 56707450) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID56707450
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C)ccc1OCc1cc(C(=O)NCCc2cnc[nH]2)no1
InChIInChI=1S/C18H20N4O4/c1-12-3-4-16(17(7-12)24-2)25-10-14-8-15(22-26-14)18(23)20-6-5-13-9-19-11-21-13/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyUIARLDZUOUCLHR-UHFFFAOYSA-N
XLogP2.27
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56760139
5-[(2,5-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 126460362
N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 77022280
5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide
CID 26395325
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 23404169
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42527110
3-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzamide
CID 104852790
5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 56701087
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 72861448
methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 4193916
5-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 107375934
N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 122714941

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 56707450) is N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is COc1cc(C)ccc1OCc1cc(C(=O)NCCc2cnc[nH]2)no1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UIARLDZUOUCLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12-3-4-16(17(7-12)24-2)25-10-14-8-15(22-26-14)18(23)20-6-5-13-9-19-11-21-13/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56707450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).