2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole

C23H32N2O2 — CID 131976805

IUPAC2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole
SMILESCC(C)(C)c1ccc(CC(C)(C)c2ccc(CC(C)(C)c3ncco3)[nH]2)o1
InChIInChI=1S/C23H32N2O2/c1-21(2,3)19-11-9-17(27-19)15-22(4,5)18-10-8-16(25-18)14-23(6,7)20-24-12-13-26-20/h8-13,25H,14-15H2,1-7H3
InChIKeyQWTWTZBUAIDRES-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.93
Rot. Bonds6

About 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole

2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole (PubChem CID 131976805) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole
PubChem CID131976805
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole
SMILESCC(C)(C)c1ccc(CC(C)(C)c2ccc(CC(C)(C)c3ncco3)[nH]2)o1
InChIInChI=1S/C23H32N2O2/c1-21(2,3)19-11-9-17(27-19)15-22(4,5)18-10-8-16(25-18)14-23(6,7)20-24-12-13-26-20/h8-13,25H,14-15H2,1-7H3
InChIKeyQWTWTZBUAIDRES-UHFFFAOYSA-N
XLogP5.93
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole with MolForge

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Related Compounds

4-(2-ethylbutanoyl)-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide
CID 4310617
N-[(3S*,4R*)-4-(5-methyl-2-furyl)-1-(1H-pyrrol-2-ylcarbonyl)-3-pyrrolidinyl]acetamide
CID 70757234
ethyl 4-(1-acetylpyrrol-3-yl)-5-(4-methyl-2-furyl)-1H-pyrrole-2-carboxylate
CID 393280
2-(1-{[1-(2-furylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]carbonyl}-3-piperidyl)-1H-pyrrole-3-carboxamide
CID 91921621
3-(5-methylfuran-2-yl)-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]propanamide
CID 126769415
N-methyl-N-[(3-methylfuran-2-yl)methyl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 137997061
(4S)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
CID 58255182
5-methyl-N-[[4-(1,3-oxazol-2-yl)cyclohexyl]methyl]-2-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 142279882
5-methyl-N-[[4-(1,3-oxazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 142280047
3-[4-(difluoromethyl)-1,3-oxazol-2-yl]-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]aniline
CID 154683242
ethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate
CID 164666183
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
CID 30889484

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole?
The IUPAC name of 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole (CID 131976805) is 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole is CC(C)(C)c1ccc(CC(C)(C)c2ccc(CC(C)(C)c3ncco3)[nH]2)o1.
What is the InChIKey of 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole?
The InChIKey is QWTWTZBUAIDRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-21(2,3)19-11-9-17(27-19)15-22(4,5)18-10-8-16(25-18)14-23(6,7)20-24-12-13-26-20/h8-13,25H,14-15H2,1-7H3.
What are the key properties of 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole?
2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole has a molecular weight of 368.52 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[1-(5-tert-butylfuran-2-yl)-2-methylpropan-2-yl]-1H-pyrrol-2-yl]-2-methylpropan-2-yl]-1,3-oxazole is sourced from PubChem (CID 131976805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).