trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide

C20H22ClN3O4 — CID 171519496

IUPACtrans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)[C@@H]4CCC[C@H]4O)cc3cc2Cl)on1
InChIInChI=1S/C20H22ClN3O4/c1-11-5-14(28-24-11)10-27-19-8-17-12(7-16(19)21)6-13(23-17)9-22-20(26)15-3-2-4-18(15)25/h5-8,15,18,23,25H,2-4,9-10H2,1H3,(H,22,26)/t15-,18-/m1/s1
InChIKeyJADCYHOKISRLPJ-CRAIPNDOSA-N
MW403.87 g/mol
LogP3.47
Rot. Bonds6

About trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide

trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 171519496) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID171519496
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC Nametrans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)[C@@H]4CCC[C@H]4O)cc3cc2Cl)on1
InChIInChI=1S/C20H22ClN3O4/c1-11-5-14(28-24-11)10-27-19-8-17-12(7-16(19)21)6-13(23-17)9-22-20(26)15-3-2-4-18(15)25/h5-8,15,18,23,25H,2-4,9-10H2,1H3,(H,22,26)/t15-,18-/m1/s1
InChIKeyJADCYHOKISRLPJ-CRAIPNDOSA-N
XLogP3.47
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide with MolForge

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Related Compounds

(2S)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclobutane-1-carboxamide
CID 171731902
(2S)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylazetidine-2-carboxamide
CID 171518169
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 171517886
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(oxetan-2-yl)acetamide
CID 171519805
(2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxybutanamide
CID 171518498
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(difluoromethyl)azetidine-1-carboxamide
CID 171519376
N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide
CID 171519022
N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide
CID 171518930
N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide
CID 171519183
cis-(1S,2S)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide
CID 171518553
N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519626
N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide
CID 171518874

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide (CID 171519496) is trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide is Cc1cc(COc2cc3[nH]c(CNC(=O)[C@@H]4CCC[C@H]4O)cc3cc2Cl)on1.
What is the InChIKey of trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is JADCYHOKISRLPJ-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-11-5-14(28-24-11)10-27-19-8-17-12(7-16(19)21)6-13(23-17)9-22-20(26)15-3-2-4-18(15)25/h5-8,15,18,23,25H,2-4,9-10H2,1H3,(H,22,26)/t15-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide?
trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 171519496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).