N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide

C22H24N4O3 — CID 123458357

IUPACN-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCCNC(=O)C1CCC(N(C)C(=O)c2ccc(-c3nc4ccncc4o3)cc2)C1
InChIInChI=1S/C22H24N4O3/c1-3-24-20(27)16-8-9-17(12-16)26(2)22(28)15-6-4-14(5-7-15)21-25-18-10-11-23-13-19(18)29-21/h4-7,10-11,13,16-17H,3,8-9,12H2,1-2H3,(H,24,27)
InChIKeyDVUWBAQWBRXNDX-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.27
Rot. Bonds5

About N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide

N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 123458357) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID123458357
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCCNC(=O)C1CCC(N(C)C(=O)c2ccc(-c3nc4ccncc4o3)cc2)C1
InChIInChI=1S/C22H24N4O3/c1-3-24-20(27)16-8-9-17(12-16)26(2)22(28)15-6-4-14(5-7-15)21-25-18-10-11-23-13-19(18)29-21/h4-7,10-11,13,16-17H,3,8-9,12H2,1-2H3,(H,24,27)
InChIKeyDVUWBAQWBRXNDX-UHFFFAOYSA-N
XLogP3.27
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide with MolForge

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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-pyridin-4-ylbenzamide
CID 123993453
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-[5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-yl]benzamide
CID 123877996
4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[[(2S)-butan-2-yl]carbamoyl]cyclopentyl]-N-methylbenzamide
CID 75203997
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-(4-methylphenyl)benzamide
CID 123962446
4-(1,3-benzoxazol-2-yl)-N-benzyl-N-[(1R,3S)-3-(ethylcarbamoyl)cyclopentyl]benzamide
CID 90156726
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,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
4-(1,3-benzoxazol-2-yl)-N-[3-[(butan-2-ylamino)-hydroxymethyl]cyclopentyl]-N-methylbenzamide
CID 123989616
4-(dimethylamino)-N-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)phenyl]benzamide
CID 59680262
2-phenyl-[1,3]oxazolo[5,4-c]pyridine
CID 19979601

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide (CID 123458357) is N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide is CCNC(=O)C1CCC(N(C)C(=O)c2ccc(-c3nc4ccncc4o3)cc2)C1.
What is the InChIKey of N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is DVUWBAQWBRXNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-24-20(27)16-8-9-17(12-16)26(2)22(28)15-6-4-14(5-7-15)21-25-18-10-11-23-13-19(18)29-21/h4-7,10-11,13,16-17H,3,8-9,12H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide?
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.27, 5 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-([1,3]oxazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 123458357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).