2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole

C23H31N5OS — CID 158655434

IUPAC2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole
SMILESCCc1ccccn1.CCc1ncccn1.CCc1ncco1.CCc1nccs1
InChIInChI=1S/C7H9N.C6H8N2.C5H7NO.C5H7NS/c1-2-7-5-3-4-6-8-7;1-2-6-7-4-3-5-8-6;2*1-2-5-6-3-4-7-5/h3-6H,2H2,1H3;3-5H,2H2,1H3;2*3-4H,2H2,1H3
InChIKeyICBNJWRPCAKIAH-UHFFFAOYSA-N
MW425.60 g/mol
LogP5.63
Rot. Bonds4

About 2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole

2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole (PubChem CID 158655434) has the molecular formula C23H31N5OS and a molecular weight of 425.60 g/mol. Its IUPAC name is 2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole
PubChem CID158655434
Molecular FormulaC23H31N5OS
Molecular Weight425.60 g/mol
Exact Mass425.22
IUPAC Name2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole
SMILESCCc1ccccn1.CCc1ncccn1.CCc1ncco1.CCc1nccs1
InChIInChI=1S/C7H9N.C6H8N2.C5H7NO.C5H7NS/c1-2-7-5-3-4-6-8-7;1-2-6-7-4-3-5-8-6;2*1-2-5-6-3-4-7-5/h3-6H,2H2,1H3;3-5H,2H2,1H3;2*3-4H,2H2,1H3
InChIKeyICBNJWRPCAKIAH-UHFFFAOYSA-N
XLogP5.63
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.60
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(5-Ethyl-1,3-oxazol-2-yl)ethyl]-3-[4-methyl-5-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea
CID 11364073
1-[2-(5-Ethyl-oxazol-2-yl)-ethyl]-3-[5-(2-methoxy-6-methyl-pyrimidin-4-yl)-4-methyl-thiazol-2-yl]-urea
CID 11406981
1-[2-(5-Ethyl-oxazol-2-yl)-ethyl]-3-{4-methyl-5-[6-methyl-2-(2-morpholin-4-yl-ethoxy)-pyrimidin-4-yl]-thiazol-2-yl}-urea
CID 11785343
1-[5-[(5-Ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 22970826
2-(1,3-Oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45274516
2-(1,3-Oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45274517
2-(1,3-Oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45274518
2-(1,3-Oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 45274620
2-(1,3-Oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 68587536
2-(1,3-Oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 68587578
2-(1,3-Oxazol-2-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 68607740
2-(1,3-Oxazol-2-yl)-6-(1-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 68608634

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole?
The IUPAC name of 2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole (CID 158655434) is 2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole.
What is the SMILES notation for 2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole?
The canonical SMILES for 2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole is CCc1ccccn1.CCc1ncccn1.CCc1ncco1.CCc1nccs1.
What is the InChIKey of 2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole?
The InChIKey is ICBNJWRPCAKIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C6H8N2.C5H7NO.C5H7NS/c1-2-7-5-3-4-6-8-7;1-2-6-7-4-3-5-8-6;2*1-2-5-6-3-4-7-5/h3-6H,2H2,1H3;3-5H,2H2,1H3;2*3-4H,2H2,1H3.
What are the key properties of 2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole?
2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole has a molecular weight of 425.60 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole is sourced from PubChem (CID 158655434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).