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

C21H22ClN3O4 — CID 171517886

IUPACN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C45CCC(CC4)O5)cc3cc2Cl)on1
InChIInChI=1S/C21H22ClN3O4/c1-12-6-16(29-25-12)11-27-19-9-18-13(8-17(19)22)7-14(24-18)10-23-20(26)21-4-2-15(28-21)3-5-21/h6-9,15,24H,2-5,10-11H2,1H3,(H,23,26)
InChIKeyBTAXBKORUOBERI-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.02
Rot. Bonds6

About 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

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 (PubChem CID 171517886) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-1-carboxamide
PubChem CID171517886
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC NameN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C45CCC(CC4)O5)cc3cc2Cl)on1
InChIInChI=1S/C21H22ClN3O4/c1-12-6-16(29-25-12)11-27-19-9-18-13(8-17(19)22)7-14(24-18)10-23-20(26)21-4-2-15(28-21)3-5-21/h6-9,15,24H,2-5,10-11H2,1H3,(H,23,26)
InChIKeyBTAXBKORUOBERI-UHFFFAOYSA-N
XLogP4.02
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(COc2cc3[nH]c(CNC(=O)C45CCC(CC4)O5)cc3cc2Cl)on1.
What is the InChIKey of 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?
The InChIKey is BTAXBKORUOBERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-12-6-16(29-25-12)11-27-19-9-18-13(8-17(19)22)7-14(24-18)10-23-20(26)21-4-2-15(28-21)3-5-21/h6-9,15,24H,2-5,10-11H2,1H3,(H,23,26).
What are the key properties of 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?
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 has a molecular weight of 415.88 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171517886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).