2-(2-butyl-1H-inden-4-yl)-1,3-oxazole

C16H17NO — CID 173192643

IUPAC2-(2-butyl-1H-inden-4-yl)-1,3-oxazole
SMILESCCCCC1=Cc2c(cccc2-c2ncco2)C1
InChIInChI=1S/C16H17NO/c1-2-3-5-12-10-13-6-4-7-14(15(13)11-12)16-17-8-9-18-16/h4,6-9,11H,2-3,5,10H2,1H3
InChIKeyNTOOWOVRUIKXDI-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.47
Rot. Bonds4

About 2-(2-butyl-1H-inden-4-yl)-1,3-oxazole

2-(2-butyl-1H-inden-4-yl)-1,3-oxazole (PubChem CID 173192643) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2-butyl-1H-inden-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-butyl-1H-inden-4-yl)-1,3-oxazole
PubChem CID173192643
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(2-butyl-1H-inden-4-yl)-1,3-oxazole
SMILESCCCCC1=Cc2c(cccc2-c2ncco2)C1
InChIInChI=1S/C16H17NO/c1-2-3-5-12-10-13-6-4-7-14(15(13)11-12)16-17-8-9-18-16/h4,6-9,11H,2-3,5,10H2,1H3
InChIKeyNTOOWOVRUIKXDI-UHFFFAOYSA-N
XLogP4.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-4-(2-phenylphenyl)-1H-indene
CID 154024612
2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole
CID 173192933
2-hexyl-4-(4-propylphenyl)-1H-indene
CID 22507887
2-butyl-4-hex-1-enyl-1H-indene
CID 173192519
3-(2-propyl-1H-inden-4-yl)quinoline
CID 159825483
N-butyl-2-methyl-3-(1,3-oxazol-2-yl)aniline
CID 166227222
1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine
CID 117305599
2-butyl-5-propan-2-yl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87703016
2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene
CID 87703297
2-(4-butoxyphenyl)-1,3-oxazole
CID 69161830
2-(4-heptylphenyl)-1,3-oxazole
CID 59546194
trimethyl-[4-[2-[(1-propylcyclopropyl)methyl]-1H-inden-4-yl]phenyl]silane
CID 87381858

Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-1H-inden-4-yl)-1,3-oxazole?
The IUPAC name of 2-(2-butyl-1H-inden-4-yl)-1,3-oxazole (CID 173192643) is 2-(2-butyl-1H-inden-4-yl)-1,3-oxazole.
What is the SMILES notation for 2-(2-butyl-1H-inden-4-yl)-1,3-oxazole?
The canonical SMILES for 2-(2-butyl-1H-inden-4-yl)-1,3-oxazole is CCCCC1=Cc2c(cccc2-c2ncco2)C1.
What is the InChIKey of 2-(2-butyl-1H-inden-4-yl)-1,3-oxazole?
The InChIKey is NTOOWOVRUIKXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-3-5-12-10-13-6-4-7-14(15(13)11-12)16-17-8-9-18-16/h4,6-9,11H,2-3,5,10H2,1H3.
What are the key properties of 2-(2-butyl-1H-inden-4-yl)-1,3-oxazole?
2-(2-butyl-1H-inden-4-yl)-1,3-oxazole has a molecular weight of 239.32 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-1H-inden-4-yl)-1,3-oxazole is sourced from PubChem (CID 173192643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).