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

C18H17ClFN3O3 — CID 171518424

IUPACtrans-(1S,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)[C@@H]4C[C@H]4F)cc3cc2Cl)on1
InChIInChI=1S/C18H17ClFN3O3/c1-9-2-12(26-23-9)8-25-17-6-16-10(4-14(17)19)3-11(22-16)7-21-18(24)13-5-15(13)20/h2-4,6,13,15,22H,5,7-8H2,1H3,(H,21,24)/t13-,15-/m1/s1
InChIKeyXETRBFOBVUCXQT-UKRRQHHQSA-N
MW377.80 g/mol
LogP3.67
Rot. Bonds6

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

trans-(1S,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 171518424) has the molecular formula C18H17ClFN3O3 and a molecular weight of 377.80 g/mol. Its IUPAC name is trans-(1S,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide
PubChem CID171518424
Molecular FormulaC18H17ClFN3O3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC Nametrans-(1S,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)[C@@H]4C[C@H]4F)cc3cc2Cl)on1
InChIInChI=1S/C18H17ClFN3O3/c1-9-2-12(26-23-9)8-25-17-6-16-10(4-14(17)19)3-11(22-16)7-21-18(24)13-5-15(13)20/h2-4,6,13,15,22H,5,7-8H2,1H3,(H,21,24)/t13-,15-/m1/s1
InChIKeyXETRBFOBVUCXQT-UKRRQHHQSA-N
XLogP3.67
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide (CID 171518424) is trans-(1S,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide is Cc1cc(COc2cc3[nH]c(CNC(=O)[C@@H]4C[C@H]4F)cc3cc2Cl)on1.
What is the InChIKey of trans-(1S,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is XETRBFOBVUCXQT-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H17ClFN3O3/c1-9-2-12(26-23-9)8-25-17-6-16-10(4-14(17)19)3-11(22-16)7-21-18(24)13-5-15(13)20/h2-4,6,13,15,22H,5,7-8H2,1H3,(H,21,24)/t13-,15-/m1/s1.
What are the key properties of trans-(1S,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide?
trans-(1S,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 377.80 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 171518424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).