4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide

C26H32N4O3 — CID 75204237

IUPAC4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide
SMILESCC(CN(C)C)NC(=O)[C@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3nc4ccccc4o3)cc2)C1
InChIInChI=1S/C26H32N4O3/c1-17(16-29(2)3)27-24(31)20-13-14-21(15-20)30(4)26(32)19-11-9-18(10-12-19)25-28-22-7-5-6-8-23(22)33-25/h5-12,17,20-21H,13-16H2,1-4H3,(H,27,31)/t17?,20-,21+/m0/s1
InChIKeyFOSVRCBMNSMJFY-GLTUQPQBSA-N
MW448.57 g/mol
LogP3.80
Rot. Bonds7

About 4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide

4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide (PubChem CID 75204237) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide
PubChem CID75204237
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide
SMILESCC(CN(C)C)NC(=O)[C@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3nc4ccccc4o3)cc2)C1
InChIInChI=1S/C26H32N4O3/c1-17(16-29(2)3)27-24(31)20-13-14-21(15-20)30(4)26(32)19-11-9-18(10-12-19)25-28-22-7-5-6-8-23(22)33-25/h5-12,17,20-21H,13-16H2,1-4H3,(H,27,31)/t17?,20-,21+/m0/s1
InChIKeyFOSVRCBMNSMJFY-GLTUQPQBSA-N
XLogP3.80
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide
CID 122576366
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-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-(4-methylphenyl)benzamide
CID 123962446
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide
CID 123993453
cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide
CID 56675411

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide (CID 75204237) is 4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide is CC(CN(C)C)NC(=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,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide?
The InChIKey is FOSVRCBMNSMJFY-GLTUQPQBSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-17(16-29(2)3)27-24(31)20-13-14-21(15-20)30(4)26(32)19-11-9-18(10-12-19)25-28-22-7-5-6-8-23(22)33-25/h5-12,17,20-21H,13-16H2,1-4H3,(H,27,31)/t17?,20-,21+/m0/s1.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide?
4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide has a molecular weight of 448.57 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide is sourced from PubChem (CID 75204237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).