3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole

C9H10N2OS — CID 123932195

IUPAC3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole
SMILESCCc1cnc(-c2cc(C)on2)s1
InChIInChI=1S/C9H10N2OS/c1-3-7-5-10-9(13-7)8-4-6(2)12-11-8/h4-5H,3H2,1-2H3
InChIKeyPEPDMHZQUQHRQN-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.67
Rot. Bonds2

About 3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole

3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole (PubChem CID 123932195) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole
PubChem CID123932195
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole
SMILESCCc1cnc(-c2cc(C)on2)s1
InChIInChI=1S/C9H10N2OS/c1-3-7-5-10-9(13-7)8-4-6(2)12-11-8/h4-5H,3H2,1-2H3
InChIKeyPEPDMHZQUQHRQN-UHFFFAOYSA-N
XLogP2.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-Methyl-3-isoxazolyl)-1,3-thiazol-4-yl]-1-ethanone
CID 2745414
(E)-3-(dimethylamino)-1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]prop-2-en-1-one
CID 5704222
N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 45823397
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 53531782
N-methyl-1-[(3R)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 124628441
5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 124757468
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 137982663
5-Ethyl-2-(5-methylisoxazol-3-yl)thiazol-4-yl trifluoromethanesulfonate
CID 86680782
1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 128972326
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]methanamine
CID 132294377
5-Methyl-3-[[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 133522193
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133522504

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole (CID 123932195) is 3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole is CCc1cnc(-c2cc(C)on2)s1.
What is the InChIKey of 3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole?
The InChIKey is PEPDMHZQUQHRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-3-7-5-10-9(13-7)8-4-6(2)12-11-8/h4-5H,3H2,1-2H3.
What are the key properties of 3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole?
3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole has a molecular weight of 194.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 123932195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).