4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide

C23H25N3O3 — CID 123990017

IUPAC4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide
SMILESCN(C)C(=O)C1CCC(N(C)C(=O)c2ccc(-c3nc4ccccc4o3)cc2)C1
InChIInChI=1S/C23H25N3O3/c1-25(2)22(27)17-12-13-18(14-17)26(3)23(28)16-10-8-15(9-11-16)21-24-19-6-4-5-7-20(19)29-21/h4-11,17-18H,12-14H2,1-3H3
InChIKeyGTVRDKJDWCVORW-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.82
Rot. Bonds4

About 4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide

4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide (PubChem CID 123990017) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide
PubChem CID123990017
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide
SMILESCN(C)C(=O)C1CCC(N(C)C(=O)c2ccc(-c3nc4ccccc4o3)cc2)C1
InChIInChI=1S/C23H25N3O3/c1-25(2)22(27)17-12-13-18(14-17)26(3)23(28)16-10-8-15(9-11-16)21-24-19-6-4-5-7-20(19)29-21/h4-11,17-18H,12-14H2,1-3H3
InChIKeyGTVRDKJDWCVORW-UHFFFAOYSA-N
XLogP3.82
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide (CID 123990017) is 4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide is CN(C)C(=O)C1CCC(N(C)C(=O)c2ccc(-c3nc4ccccc4o3)cc2)C1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide?
The InChIKey is GTVRDKJDWCVORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-25(2)22(27)17-12-13-18(14-17)26(3)23(28)16-10-8-15(9-11-16)21-24-19-6-4-5-7-20(19)29-21/h4-11,17-18H,12-14H2,1-3H3.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide?
4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide has a molecular weight of 391.47 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide is sourced from PubChem (CID 123990017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).