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

C23H25N3O3 — CID 75202997

IUPAC4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide
SMILESCCNC(=O)[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3nc4ccccc4o3)cc2)C1
InChIInChI=1S/C23H25N3O3/c1-3-24-21(27)17-12-13-18(14-17)26(2)23(28)16-10-8-15(9-11-16)22-25-19-6-4-5-7-20(19)29-22/h4-11,17-18H,3,12-14H2,1-2H3,(H,24,27)/t17-,18-/m1/s1
InChIKeySDWMXJANYGJDMN-QZTJIDSGSA-N
MW391.47 g/mol
LogP3.87
Rot. Bonds5

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

4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide (PubChem CID 75202997) 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-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide
PubChem CID75202997
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide
SMILESCCNC(=O)[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3nc4ccccc4o3)cc2)C1
InChIInChI=1S/C23H25N3O3/c1-3-24-21(27)17-12-13-18(14-17)26(2)23(28)16-10-8-15(9-11-16)22-25-19-6-4-5-7-20(19)29-22/h4-11,17-18H,3,12-14H2,1-2H3,(H,24,27)/t17-,18-/m1/s1
InChIKeySDWMXJANYGJDMN-QZTJIDSGSA-N
XLogP3.87
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide (CID 75202997) is 4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide is CCNC(=O)[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3nc4ccccc4o3)cc2)C1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide?
The InChIKey is SDWMXJANYGJDMN-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-24-21(27)17-12-13-18(14-17)26(2)23(28)16-10-8-15(9-11-16)22-25-19-6-4-5-7-20(19)29-22/h4-11,17-18H,3,12-14H2,1-2H3,(H,24,27)/t17-,18-/m1/s1.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide?
4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide has a molecular weight of 391.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide is sourced from PubChem (CID 75202997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).