2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole

C19H29N3OS — CID 160636403

IUPAC2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/C7H11N.C6H9NO.C6H9NS/c1-6(2)7-4-3-5-8-7;2*1-5(2)6-7-3-4-8-6/h3-6,8H,1-2H3;2*3-5H,1-2H3
InChIKeyRIOZZIFASFBTEI-UHFFFAOYSA-N
MW347.53 g/mol
LogP6.20
Rot. Bonds3

About 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole

2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole (PubChem CID 160636403) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole
PubChem CID160636403
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC Name2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/C7H11N.C6H9NO.C6H9NS/c1-6(2)7-4-3-5-8-7;2*1-5(2)6-7-3-4-8-6/h3-6,8H,1-2H3;2*3-5H,1-2H3
InChIKeyRIOZZIFASFBTEI-UHFFFAOYSA-N
XLogP6.20
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxazole thiazole indole
CID 86594208
5-[5-[4-(4-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazol-3-ium-3-yl]-1,3-oxazole
CID 123970569
4-[4-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]-2-cyclopropyl-1,3-oxazole;propane
CID 156716637
4-[4-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole;propane
CID 156716959
methane;2-methylcyclopenta-1,3-diene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1H-pyrrole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;3-methylthiophene
CID 157793621
2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane
CID 158812614
2-(2-Methylpropyl)-1,3-oxazole;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole
CID 161297306
1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104579745
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 104931651
4-[4-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]-2-cyclopropyl-1,3-oxazole
CID 156716638
4-[4-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole
CID 156716960

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole (CID 160636403) is 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole is CC(C)c1ccc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.
What is the InChIKey of 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole?
The InChIKey is RIOZZIFASFBTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C6H9NO.C6H9NS/c1-6(2)7-4-3-5-8-7;2*1-5(2)6-7-3-4-8-6/h3-6,8H,1-2H3;2*3-5H,1-2H3.
What are the key properties of 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole?
2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole has a molecular weight of 347.53 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160636403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).