N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

C18H18FN3O3 — CID 171518592

IUPACN-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(F)c(OCc4cocn4)cc3[nH]2)CC1
InChIInChI=1S/C18H18FN3O3/c1-18(2-3-18)17(23)20-7-12-4-11-5-14(19)16(6-15(11)22-12)25-9-13-8-24-10-21-13/h4-6,8,10,22H,2-3,7,9H2,1H3,(H,20,23)
InChIKeyMTEUFOPSWOZSBX-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.29
Rot. Bonds6

About N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171518592) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171518592
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(F)c(OCc4cocn4)cc3[nH]2)CC1
InChIInChI=1S/C18H18FN3O3/c1-18(2-3-18)17(23)20-7-12-4-11-5-14(19)16(6-15(11)22-12)25-9-13-8-24-10-21-13/h4-6,8,10,22H,2-3,7,9H2,1H3,(H,20,23)
InChIKeyMTEUFOPSWOZSBX-UHFFFAOYSA-N
XLogP3.29
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 171518592) is N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCc2cc3cc(F)c(OCc4cocn4)cc3[nH]2)CC1.
What is the InChIKey of N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is MTEUFOPSWOZSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-18(2-3-18)17(23)20-7-12-4-11-5-14(19)16(6-15(11)22-12)25-9-13-8-24-10-21-13/h4-6,8,10,22H,2-3,7,9H2,1H3,(H,20,23).
What are the key properties of N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171518592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).