1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea

C17H18ClFN4O3 — CID 171517874

IUPAC1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)NCCF)cc3cc2Cl)on1
InChIInChI=1S/C17H18ClFN4O3/c1-10-4-13(26-23-10)9-25-16-7-15-11(6-14(16)18)5-12(22-15)8-21-17(24)20-3-2-19/h4-7,22H,2-3,8-9H2,1H3,(H2,20,21,24)
InChIKeyHINPSMCTMXSINO-UHFFFAOYSA-N
MW380.81 g/mol
LogP3.47
Rot. Bonds7

About 1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea

1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea (PubChem CID 171517874) has the molecular formula C17H18ClFN4O3 and a molecular weight of 380.81 g/mol. Its IUPAC name is 1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea
PubChem CID171517874
Molecular FormulaC17H18ClFN4O3
Molecular Weight380.81 g/mol
Exact Mass380.11
IUPAC Name1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)NCCF)cc3cc2Cl)on1
InChIInChI=1S/C17H18ClFN4O3/c1-10-4-13(26-23-10)9-25-16-7-15-11(6-14(16)18)5-12(22-15)8-21-17(24)20-3-2-19/h4-7,22H,2-3,8-9H2,1H3,(H2,20,21,24)
InChIKeyHINPSMCTMXSINO-UHFFFAOYSA-N
XLogP3.47
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide
CID 171517866
(2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide
CID 171517967
N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide
CID 171517992
N-[[5-fluoro-6-(1,2-oxazol-5-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
CID 171518067
N-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 171518090
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluoro-2-hydroxypropanamide
CID 171518149
1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea
CID 171518246
2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide
CID 171518264
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide
CID 171518267
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide
CID 171518368
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
(2S)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 171518447

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea?
The IUPAC name of 1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea (CID 171517874) is 1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea is Cc1cc(COc2cc3[nH]c(CNC(=O)NCCF)cc3cc2Cl)on1.
What is the InChIKey of 1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea?
The InChIKey is HINPSMCTMXSINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O3/c1-10-4-13(26-23-10)9-25-16-7-15-11(6-14(16)18)5-12(22-15)8-21-17(24)20-3-2-19/h4-7,22H,2-3,8-9H2,1H3,(H2,20,21,24).
What are the key properties of 1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea?
1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea has a molecular weight of 380.81 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea is sourced from PubChem (CID 171517874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).