4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide

C24H27N3O3 — CID 122576366

IUPAC4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide
SMILESCC(C)NC(=O)C1CC[C@@H](N(C)C(=O)c2ccc(-c3nc4ccccc4o3)cc2)C1
InChIInChI=1S/C24H27N3O3/c1-15(2)25-22(28)18-12-13-19(14-18)27(3)24(29)17-10-8-16(9-11-17)23-26-20-6-4-5-7-21(20)30-23/h4-11,15,18-19H,12-14H2,1-3H3,(H,25,28)/t18?,19-/m1/s1
InChIKeyGAHLFCXHHAOYGT-MUMRKEEXSA-N
MW405.50 g/mol
LogP4.26
Rot. Bonds5

About 4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide

4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide (PubChem CID 122576366) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide
PubChem CID122576366
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide
SMILESCC(C)NC(=O)C1CC[C@@H](N(C)C(=O)c2ccc(-c3nc4ccccc4o3)cc2)C1
InChIInChI=1S/C24H27N3O3/c1-15(2)25-22(28)18-12-13-19(14-18)27(3)24(29)17-10-8-16(9-11-17)23-26-20-6-4-5-7-21(20)30-23/h4-11,15,18-19H,12-14H2,1-3H3,(H,25,28)/t18?,19-/m1/s1
InChIKeyGAHLFCXHHAOYGT-MUMRKEEXSA-N
XLogP4.26
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide
CID 75204237
4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide
CID 75202997
4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide
CID 123990017
4-(1,3-benzoxazol-2-yl)-N-[3-[(butan-2-ylamino)-hydroxymethyl]cyclopentyl]-N-methylbenzamide
CID 123989616
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-benzyl-N-[(1R,3S)-3-(ethylcarbamoyl)cyclopentyl]benzamide
CID 90156726
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide
CID 123877996
N-[(1S,3R)-3-[[2-[4-(1,3-benzoxazol-2-yl)phenyl]-2-oxoethyl]-methylamino]cyclopentyl]-2-methylpropanamide
CID 144760209
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-(4-methylphenyl)benzamide
CID 123962446
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide
CID 123993453

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide (CID 122576366) is 4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide is CC(C)NC(=O)C1CC[C@@H](N(C)C(=O)c2ccc(-c3nc4ccccc4o3)cc2)C1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide?
The InChIKey is GAHLFCXHHAOYGT-MUMRKEEXSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-15(2)25-22(28)18-12-13-19(14-18)27(3)24(29)17-10-8-16(9-11-17)23-26-20-6-4-5-7-21(20)30-23/h4-11,15,18-19H,12-14H2,1-3H3,(H,25,28)/t18?,19-/m1/s1.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide?
4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 4.26, 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-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide is sourced from PubChem (CID 122576366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).