N-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C23H22N4O4 — CID 123699320

IUPACN-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(OCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)c1
InChIInChI=1S/C23H22N4O4/c1-16-5-3-6-17(11-16)22-21(24-15-31-22)23(28)26-18-13-25-27(14-18)9-10-30-20-8-4-7-19(12-20)29-2/h3-8,11-15H,9-10H2,1-2H3,(H,26,28)
InChIKeyHXCWDNJBHMREJD-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.19
Rot. Bonds8

About N-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

N-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 123699320) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID123699320
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(OCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)c1
InChIInChI=1S/C23H22N4O4/c1-16-5-3-6-17(11-16)22-21(24-15-31-22)23(28)26-18-13-25-27(14-18)9-10-30-20-8-4-7-19(12-20)29-2/h3-8,11-15H,9-10H2,1-2H3,(H,26,28)
InChIKeyHXCWDNJBHMREJD-UHFFFAOYSA-N
XLogP4.19
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 123699320) is N-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is COc1cccc(OCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)c1.
What is the InChIKey of N-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HXCWDNJBHMREJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-16-5-3-6-17(11-16)22-21(24-15-31-22)23(28)26-18-13-25-27(14-18)9-10-30-20-8-4-7-19(12-20)29-2/h3-8,11-15H,9-10H2,1-2H3,(H,26,28).
What are the key properties of N-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methoxyphenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 123699320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).