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

C19H19ClF2N4O3 — CID 171519376

IUPACN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(difluoromethyl)azetidine-1-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)N4CCC4C(F)F)cc3cc2Cl)on1
InChIInChI=1S/C19H19ClF2N4O3/c1-10-4-13(29-25-10)9-28-17-7-15-11(6-14(17)20)5-12(24-15)8-23-19(27)26-3-2-16(26)18(21)22/h4-7,16,18,24H,2-3,8-9H2,1H3,(H,23,27)
InChIKeyZMMIWXNVQNCNEN-UHFFFAOYSA-N
MW424.84 g/mol
LogP4.25
Rot. Bonds6

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

N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(difluoromethyl)azetidine-1-carboxamide (PubChem CID 171519376) has the molecular formula C19H19ClF2N4O3 and a molecular weight of 424.84 g/mol. Its IUPAC name is N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(difluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(difluoromethyl)azetidine-1-carboxamide
PubChem CID171519376
Molecular FormulaC19H19ClF2N4O3
Molecular Weight424.84 g/mol
Exact Mass424.11
IUPAC NameN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(difluoromethyl)azetidine-1-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)N4CCC4C(F)F)cc3cc2Cl)on1
InChIInChI=1S/C19H19ClF2N4O3/c1-10-4-13(29-25-10)9-28-17-7-15-11(6-14(17)20)5-12(24-15)8-23-19(27)26-3-2-16(26)18(21)22/h4-7,16,18,24H,2-3,8-9H2,1H3,(H,23,27)
InChIKeyZMMIWXNVQNCNEN-UHFFFAOYSA-N
XLogP4.25
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclobutane-1-carboxamide
CID 171731902
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 171517886
(2S)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylazetidine-2-carboxamide
CID 171518169
trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 171519496
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(oxetan-2-yl)acetamide
CID 171519805
(2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxybutanamide
CID 171518498
N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide
CID 171519183
N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide
CID 171519022
(2S)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-(hydroxymethyl)azetidine-1-carboxamide
CID 171519776
N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide
CID 171518930
N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
CID 171518561
N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide
CID 171518874

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]-2-(difluoromethyl)azetidine-1-carboxamide?
The IUPAC name of N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(difluoromethyl)azetidine-1-carboxamide (CID 171519376) is N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(difluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(difluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(difluoromethyl)azetidine-1-carboxamide is Cc1cc(COc2cc3[nH]c(CNC(=O)N4CCC4C(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]-2-(difluoromethyl)azetidine-1-carboxamide?
The InChIKey is ZMMIWXNVQNCNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N4O3/c1-10-4-13(29-25-10)9-28-17-7-15-11(6-14(17)20)5-12(24-15)8-23-19(27)26-3-2-16(26)18(21)22/h4-7,16,18,24H,2-3,8-9H2,1H3,(H,23,27).
What are the key properties of N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(difluoromethyl)azetidine-1-carboxamide?
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(difluoromethyl)azetidine-1-carboxamide has a molecular weight of 424.84 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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]-2-(difluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 171519376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).