N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide

C17H16ClN3O3 — CID 171518930

IUPACN-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cc2cc(Cl)c(OCc3ccon3)cc2[nH]1)C1CC1
InChIInChI=1S/C17H16ClN3O3/c18-14-6-11-5-13(8-19-17(22)10-1-2-10)20-15(11)7-16(14)23-9-12-3-4-24-21-12/h3-7,10,20H,1-2,8-9H2,(H,19,22)
InChIKeyMEJSZEKHYMPINO-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.41
Rot. Bonds6

About N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide

N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 171518930) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide
PubChem CID171518930
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cc2cc(Cl)c(OCc3ccon3)cc2[nH]1)C1CC1
InChIInChI=1S/C17H16ClN3O3/c18-14-6-11-5-13(8-19-17(22)10-1-2-10)20-15(11)7-16(14)23-9-12-3-4-24-21-12/h3-7,10,20H,1-2,8-9H2,(H,19,22)
InChIKeyMEJSZEKHYMPINO-UHFFFAOYSA-N
XLogP3.41
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide
CID 171518874
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 171519810
(2S)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclobutane-1-carboxamide
CID 171731902
N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide
CID 171518291
cis-(1S,2S)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide
CID 171518553
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
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide
CID 171518233
N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
CID 171518561
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 171518276
(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]-2-(oxetan-2-yl)acetamide
CID 171519805
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

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide (CID 171518930) is N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide is O=C(NCc1cc2cc(Cl)c(OCc3ccon3)cc2[nH]1)C1CC1.
What is the InChIKey of N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is MEJSZEKHYMPINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c18-14-6-11-5-13(8-19-17(22)10-1-2-10)20-15(11)7-16(14)23-9-12-3-4-24-21-12/h3-7,10,20H,1-2,8-9H2,(H,19,22).
What are the key properties of N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide?
N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 345.79 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 171518930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).