[6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

C23H18ClFN2O5 — CID 137000321

IUPAC[6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc(C5(CO)CC5)cc4F)cc23)on1
InChIInChI=1S/C23H18ClFN2O5/c1-31-19-9-18(32-27-19)21(29)20-14-7-13(15(24)8-17(14)26-22(20)30)12-3-2-11(6-16(12)25)23(10-28)4-5-23/h2-3,6-9,26,28,30H,4-5,10H2,1H3
InChIKeySABAVQKUCBGXIC-UHFFFAOYSA-N
MW456.86 g/mol
LogP4.58
Rot. Bonds6

About [6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

[6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (PubChem CID 137000321) has the molecular formula C23H18ClFN2O5 and a molecular weight of 456.86 g/mol. Its IUPAC name is [6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
PubChem CID137000321
Molecular FormulaC23H18ClFN2O5
Molecular Weight456.86 g/mol
Exact Mass456.09
IUPAC Name[6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc(C5(CO)CC5)cc4F)cc23)on1
InChIInChI=1S/C23H18ClFN2O5/c1-31-19-9-18(32-27-19)21(29)20-14-7-13(15(24)8-17(14)26-22(20)30)12-3-2-11(6-16(12)25)23(10-28)4-5-23/h2-3,6-9,26,28,30H,4-5,10H2,1H3
InChIKeySABAVQKUCBGXIC-UHFFFAOYSA-N
XLogP4.58
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.86
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of [6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (CID 137000321) is [6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is COc1cc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc(C5(CO)CC5)cc4F)cc23)on1.
What is the InChIKey of [6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is SABAVQKUCBGXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O5/c1-31-19-9-18(32-27-19)21(29)20-14-7-13(15(24)8-17(14)26-22(20)30)12-3-2-11(6-16(12)25)23(10-28)4-5-23/h2-3,6-9,26,28,30H,4-5,10H2,1H3.
What are the key properties of [6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
[6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 456.86 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-hydroxy-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 137000321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).