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

C19H18ClF2N3O4 — CID 171518267

IUPACN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C4OCCC4(F)F)cc3cc2Cl)on1
InChIInChI=1S/C19H18ClF2N3O4/c1-10-4-13(29-25-10)9-28-16-7-15-11(6-14(16)20)5-12(24-15)8-23-18(26)17-19(21,22)2-3-27-17/h4-7,17,24H,2-3,8-9H2,1H3,(H,23,26)
InChIKeyPNFJPZXVKBEAHX-UHFFFAOYSA-N
MW425.82 g/mol
LogP3.74
Rot. Bonds6

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

N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide (PubChem CID 171518267) has the molecular formula C19H18ClF2N3O4 and a molecular weight of 425.82 g/mol. Its IUPAC name is N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide
PubChem CID171518267
Molecular FormulaC19H18ClF2N3O4
Molecular Weight425.82 g/mol
Exact Mass425.10
IUPAC NameN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C4OCCC4(F)F)cc3cc2Cl)on1
InChIInChI=1S/C19H18ClF2N3O4/c1-10-4-13(29-25-10)9-28-16-7-15-11(6-14(16)20)5-12(24-15)8-23-18(26)17-19(21,22)2-3-27-17/h4-7,17,24H,2-3,8-9H2,1H3,(H,23,26)
InChIKeyPNFJPZXVKBEAHX-UHFFFAOYSA-N
XLogP3.74
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.82
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide?
The IUPAC name of N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide (CID 171518267) is N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide.
What is the SMILES notation for N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide?
The canonical SMILES for N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide is Cc1cc(COc2cc3[nH]c(CNC(=O)C4OCCC4(F)F)cc3cc2Cl)on1.
What is the InChIKey of N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide?
The InChIKey is PNFJPZXVKBEAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O4/c1-10-4-13(29-25-10)9-28-16-7-15-11(6-14(16)20)5-12(24-15)8-23-18(26)17-19(21,22)2-3-27-17/h4-7,17,24H,2-3,8-9H2,1H3,(H,23,26).
What are the key properties of N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide?
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide has a molecular weight of 425.82 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide is sourced from PubChem (CID 171518267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).