4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide

C20H20N2O2 — CID 154874416

IUPAC4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide
SMILESCCC1(c2ccc(C(=O)Nc3cccc4oc(C)nc34)cc2)CC1
InChIInChI=1S/C20H20N2O2/c1-3-20(11-12-20)15-9-7-14(8-10-15)19(23)22-16-5-4-6-17-18(16)21-13(2)24-17/h4-10H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyRGIJRTVJOAXUOW-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.83
Rot. Bonds4

About 4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide

4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide (PubChem CID 154874416) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide
PubChem CID154874416
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide
SMILESCCC1(c2ccc(C(=O)Nc3cccc4oc(C)nc34)cc2)CC1
InChIInChI=1S/C20H20N2O2/c1-3-20(11-12-20)15-9-7-14(8-10-15)19(23)22-16-5-4-6-17-18(16)21-13(2)24-17/h4-10H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyRGIJRTVJOAXUOW-UHFFFAOYSA-N
XLogP4.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide?
The IUPAC name of 4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide (CID 154874416) is 4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide.
What is the SMILES notation for 4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide?
The canonical SMILES for 4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide is CCC1(c2ccc(C(=O)Nc3cccc4oc(C)nc34)cc2)CC1.
What is the InChIKey of 4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide?
The InChIKey is RGIJRTVJOAXUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-20(11-12-20)15-9-7-14(8-10-15)19(23)22-16-5-4-6-17-18(16)21-13(2)24-17/h4-10H,3,11-12H2,1-2H3,(H,22,23).
What are the key properties of 4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide?
4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide has a molecular weight of 320.39 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylcyclopropyl)-N-(2-methyl-1,3-benzoxazol-4-yl)benzamide is sourced from PubChem (CID 154874416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).