N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide

C23H21F2N3O3 — CID 59762311

IUPACN-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ncco1
InChIInChI=1S/C23H21F2N3O3/c1-13(2)22-21(23(30)27-11-14-3-6-17(24)18(25)9-14)16-5-4-15(29)10-19(16)28(22)12-20-26-7-8-31-20/h3-10,13,29H,11-12H2,1-2H3,(H,27,30)
InChIKeyYOOWZBBLPOLLKS-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.71
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide (PubChem CID 59762311) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide
PubChem CID59762311
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ncco1
InChIInChI=1S/C23H21F2N3O3/c1-13(2)22-21(23(30)27-11-14-3-6-17(24)18(25)9-14)16-5-4-15(29)10-19(16)28(22)12-20-26-7-8-31-20/h3-10,13,29H,11-12H2,1-2H3,(H,27,30)
InChIKeyYOOWZBBLPOLLKS-UHFFFAOYSA-N
XLogP4.71
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide (CID 59762311) is N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ncco1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide?
The InChIKey is YOOWZBBLPOLLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c1-13(2)22-21(23(30)27-11-14-3-6-17(24)18(25)9-14)16-5-4-15(29)10-19(16)28(22)12-20-26-7-8-31-20/h3-10,13,29H,11-12H2,1-2H3,(H,27,30).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide has a molecular weight of 425.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 59762311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).