N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide

C21H23N3O4 — CID 122438867

IUPACN-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H]1CCC[C@@H]1Nc1nc2ccccc2o1
InChIInChI=1S/C21H23N3O4/c1-26-17-11-6-12-18(27-2)19(17)20(25)22-13-8-5-9-14(13)23-21-24-15-7-3-4-10-16(15)28-21/h3-4,6-7,10-14H,5,8-9H2,1-2H3,(H,22,25)(H,23,24)/t13-,14+/m1/s1
InChIKeyIJGRYJUBVUCTIR-KGLIPLIRSA-N
MW381.43 g/mol
LogP3.61
Rot. Bonds6

About N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide

N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide (PubChem CID 122438867) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide
PubChem CID122438867
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H]1CCC[C@@H]1Nc1nc2ccccc2o1
InChIInChI=1S/C21H23N3O4/c1-26-17-11-6-12-18(27-2)19(17)20(25)22-13-8-5-9-14(13)23-21-24-15-7-3-4-10-16(15)28-21/h3-4,6-7,10-14H,5,8-9H2,1-2H3,(H,22,25)(H,23,24)/t13-,14+/m1/s1
InChIKeyIJGRYJUBVUCTIR-KGLIPLIRSA-N
XLogP3.61
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide
CID 122438818
N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-diethoxybenzamide
CID 122438809
2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide
CID 144829887
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 118308160
2,6-dimethoxy-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide
CID 118024564
2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide
CID 125464627
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
CID 118308159
cis-(1S,2R)-2-N-(1,3-benzoxazol-2-yl)cyclohexane-1,2-diamine
CID 93454080
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide
CID 118326051

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide (CID 122438867) is N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)N[C@@H]1CCC[C@@H]1Nc1nc2ccccc2o1.
What is the InChIKey of N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide?
The InChIKey is IJGRYJUBVUCTIR-KGLIPLIRSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-17-11-6-12-18(27-2)19(17)20(25)22-13-8-5-9-14(13)23-21-24-15-7-3-4-10-16(15)28-21/h3-4,6-7,10-14H,5,8-9H2,1-2H3,(H,22,25)(H,23,24)/t13-,14+/m1/s1.
What are the key properties of N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide?
N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide has a molecular weight of 381.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 122438867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).