N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide

C28H32N4O4 — CID 123877996

IUPACN-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide
SMILESCCNC(=O)C1CCC(N(C)C(=O)c2ccc(-c3nc4cc(C(=O)N5CCCC5)ccc4o3)cc2)C1
InChIInChI=1S/C28H32N4O4/c1-3-29-25(33)20-10-12-22(16-20)31(2)27(34)19-8-6-18(7-9-19)26-30-23-17-21(11-13-24(23)36-26)28(35)32-14-4-5-15-32/h6-9,11,13,17,20,22H,3-5,10,12,14-16H2,1-2H3,(H,29,33)
InChIKeySSZYKMMRQDCDJQ-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.11
Rot. Bonds6

About N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide

N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide (PubChem CID 123877996) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide
PubChem CID123877996
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide
SMILESCCNC(=O)C1CCC(N(C)C(=O)c2ccc(-c3nc4cc(C(=O)N5CCCC5)ccc4o3)cc2)C1
InChIInChI=1S/C28H32N4O4/c1-3-29-25(33)20-10-12-22(16-20)31(2)27(34)19-8-6-18(7-9-19)26-30-23-17-21(11-13-24(23)36-26)28(35)32-14-4-5-15-32/h6-9,11,13,17,20,22H,3-5,10,12,14-16H2,1-2H3,(H,29,33)
InChIKeySSZYKMMRQDCDJQ-UHFFFAOYSA-N
XLogP4.11
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide
CID 75202997
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide
CID 123458357
4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[[(2S)-butan-2-yl]carbamoyl]cyclopentyl]-N-methylbenzamide
CID 75203997
4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide
CID 122576366
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-(4-methylphenyl)benzamide
CID 123962446
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide
CID 123993453
4-(1,3-benzoxazol-2-yl)-N-benzyl-N-[(1R,3S)-3-(ethylcarbamoyl)cyclopentyl]benzamide
CID 90156726
4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide
CID 75204237
4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide
CID 123990017
2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 53103375
(2S)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 93061123
(2S)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-N-propylpropanamide
CID 95083620

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide?
The IUPAC name of N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide (CID 123877996) is N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide.
What is the SMILES notation for N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide?
The canonical SMILES for N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide is CCNC(=O)C1CCC(N(C)C(=O)c2ccc(-c3nc4cc(C(=O)N5CCCC5)ccc4o3)cc2)C1.
What is the InChIKey of N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide?
The InChIKey is SSZYKMMRQDCDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-3-29-25(33)20-10-12-22(16-20)31(2)27(34)19-8-6-18(7-9-19)26-30-23-17-21(11-13-24(23)36-26)28(35)32-14-4-5-15-32/h6-9,11,13,17,20,22H,3-5,10,12,14-16H2,1-2H3,(H,29,33).
What are the key properties of N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide?
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide has a molecular weight of 488.59 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide is sourced from PubChem (CID 123877996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).