cyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone

C16H11F3N2O2 — CID 118378951

IUPACcyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone
SMILESO=C(C1CC1)n1ccc2c(-c3cnco3)cc(C(F)(F)F)cc21
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)10-5-12(14-7-20-8-23-14)11-3-4-21(13(11)6-10)15(22)9-1-2-9/h3-9H,1-2H2
InChIKeyHWUCNNDBMZNEHC-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.37
Rot. Bonds2

About cyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone

cyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone (PubChem CID 118378951) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is cyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone
PubChem CID118378951
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Namecyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone
SMILESO=C(C1CC1)n1ccc2c(-c3cnco3)cc(C(F)(F)F)cc21
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)10-5-12(14-7-20-8-23-14)11-3-4-21(13(11)6-10)15(22)9-1-2-9/h3-9H,1-2H2
InChIKeyHWUCNNDBMZNEHC-UHFFFAOYSA-N
XLogP4.37
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide
CID 44596986
4-Bromo-5-[1-(cyclopropylmethyl)indol-3-yl]-1,3-oxazole
CID 60167470
6-[2-Diethylaminoethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3(2h)-one
CID 90480070
(4S)-6-(1,3-oxazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 129668948
3-Cyclopentyl-1-methyl-2-oxazol-5-yl-indole-6-carboxylic acid
CID 514273
2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic Acid
CID 11509872
2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]acetic Acid
CID 11553410
3-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]propanoic Acid
CID 11647606
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-3-(1,3-oxazol-5-yl)benzamide
CID 25142429
2-[[2-(5-fluoro-2-pyridinyl)cyclopropyl]methyl]-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one
CID 57330986
2-[[(1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methyl]-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one
CID 57331046
1-butyl-N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-4-(1,3-oxazol-2-yl)indole-6-carboxamide
CID 57462775

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone (CID 118378951) is cyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone is O=C(C1CC1)n1ccc2c(-c3cnco3)cc(C(F)(F)F)cc21.
What is the InChIKey of cyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone?
The InChIKey is HWUCNNDBMZNEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)10-5-12(14-7-20-8-23-14)11-3-4-21(13(11)6-10)15(22)9-1-2-9/h3-9H,1-2H2.
What are the key properties of cyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone?
cyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone has a molecular weight of 320.27 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone is sourced from PubChem (CID 118378951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).