3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole

C13H18N2OS — CID 166929281

IUPAC3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole
SMILESCc1nocc1C(C)Cc1cnc(C(C)C)s1
InChIInChI=1S/C13H18N2OS/c1-8(2)13-14-6-11(17-13)5-9(3)12-7-16-15-10(12)4/h6-9H,5H2,1-4H3
InChIKeyGMPOYBXORHIHPX-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.91
Rot. Bonds4

About 3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole

3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole (PubChem CID 166929281) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole
PubChem CID166929281
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole
SMILESCc1nocc1C(C)Cc1cnc(C(C)C)s1
InChIInChI=1S/C13H18N2OS/c1-8(2)13-14-6-11(17-13)5-9(3)12-7-16-15-10(12)4/h6-9H,5H2,1-4H3
InChIKeyGMPOYBXORHIHPX-UHFFFAOYSA-N
XLogP3.91
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[4-[4-(1,1-Difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one
CID 158556099
1-[4-[2-[4-[4-(1,1-Difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one
CID 161215846
4-Propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole
CID 58415714
1-[2-[2-(3-Butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one
CID 59568496
4-[5-(1,3-Thiazol-5-yl)hexan-2-yl]-1,2-oxazole
CID 126486921
3-[2,4-Dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole
CID 130399985
1-[4-[2-[4-[4-(Cyclopropylmethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one
CID 159148234
1-[4-[2-[4-(4-Cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one
CID 159296673
4-Methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole
CID 159876471
4-Iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole
CID 166727457
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;2,5-dimethyl-1,3-thiazole;ethane
CID 168167899
3-Ethyl-5-[3-(2-methyl-1,3-thiazol-5-yl)butyl]-1,2-oxazole
CID 170381814

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole (CID 166929281) is 3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole is Cc1nocc1C(C)Cc1cnc(C(C)C)s1.
What is the InChIKey of 3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole?
The InChIKey is GMPOYBXORHIHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-8(2)13-14-6-11(17-13)5-9(3)12-7-16-15-10(12)4/h6-9H,5H2,1-4H3.
What are the key properties of 3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole?
3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole has a molecular weight of 250.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole is sourced from PubChem (CID 166929281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).