3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide

C22H20N2O2 — CID 23965037

IUPAC3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C22H20N2O2/c1-14(2)11-21(25)23-18-9-10-20-19(13-18)24-22(26-20)17-8-7-15-5-3-4-6-16(15)12-17/h3-10,12-14H,11H2,1-2H3,(H,23,25)
InChIKeyLGAQSROKGFMIEH-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.63
Rot. Bonds4

About 3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide

3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide (PubChem CID 23965037) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide
PubChem CID23965037
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C22H20N2O2/c1-14(2)11-21(25)23-18-9-10-20-19(13-18)24-22(26-20)17-8-7-15-5-3-4-6-16(15)12-17/h3-10,12-14H,11H2,1-2H3,(H,23,25)
InChIKeyLGAQSROKGFMIEH-UHFFFAOYSA-N
XLogP5.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 23766038
2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide
CID 17101730
2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 25211123
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide
CID 954530
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 2281677
N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 1114177
3,5-dimethyl-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 22782709
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1324569
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-3-nitrobenzamide
CID 1334164
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17128537

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide?
The IUPAC name of 3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide (CID 23965037) is 3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide?
The canonical SMILES for 3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide is CC(C)CC(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1.
What is the InChIKey of 3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide?
The InChIKey is LGAQSROKGFMIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-14(2)11-21(25)23-18-9-10-20-19(13-18)24-22(26-20)17-8-7-15-5-3-4-6-16(15)12-17/h3-10,12-14H,11H2,1-2H3,(H,23,25).
What are the key properties of 3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide?
3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide has a molecular weight of 344.41 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide is sourced from PubChem (CID 23965037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).