N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C25H23N3O3 — CID 56544823

IUPACN-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCCc1ccc(-c2cc(NC(=O)CNC(=O)Cc3cccc4ccccc34)on2)cc1
InChIInChI=1S/C25H23N3O3/c1-2-17-10-12-19(13-11-17)22-15-25(31-28-22)27-24(30)16-26-23(29)14-20-8-5-7-18-6-3-4-9-21(18)20/h3-13,15H,2,14,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyCXXPVSORBXZHIH-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.35
Rot. Bonds7

About N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 56544823) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID56544823
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCCc1ccc(-c2cc(NC(=O)CNC(=O)Cc3cccc4ccccc34)on2)cc1
InChIInChI=1S/C25H23N3O3/c1-2-17-10-12-19(13-11-17)22-15-25(31-28-22)27-24(30)16-26-23(29)14-20-8-5-7-18-6-3-4-9-21(18)20/h3-13,15H,2,14,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyCXXPVSORBXZHIH-UHFFFAOYSA-N
XLogP4.35
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 56544921
5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56544732
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7523077
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 56544891
2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56569907
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-1-ylacetamide
CID 16866680
5-bromo-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methylfuran-2-carboxamide
CID 56570434
3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56530069
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 56544885
3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide
CID 56544822
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 56530093

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 56544823) is N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is CCc1ccc(-c2cc(NC(=O)CNC(=O)Cc3cccc4ccccc34)on2)cc1.
What is the InChIKey of N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is CXXPVSORBXZHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-2-17-10-12-19(13-11-17)22-15-25(31-28-22)27-24(30)16-26-23(29)14-20-8-5-7-18-6-3-4-9-21(18)20/h3-13,15H,2,14,16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 413.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 56544823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).