2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole

C9H12ClNO2 — CID 115022436

IUPAC2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole
SMILESCCc1oc(Cl)nc1C1CCCO1
InChIInChI=1S/C9H12ClNO2/c1-2-6-8(11-9(10)13-6)7-4-3-5-12-7/h7H,2-5H2,1H3
InChIKeyCVQKQTFJIQFPPV-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.74
Rot. Bonds2

About 2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole

2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole (PubChem CID 115022436) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole
PubChem CID115022436
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole
SMILESCCc1oc(Cl)nc1C1CCCO1
InChIInChI=1S/C9H12ClNO2/c1-2-6-8(11-9(10)13-6)7-4-3-5-12-7/h7H,2-5H2,1H3
InChIKeyCVQKQTFJIQFPPV-UHFFFAOYSA-N
XLogP2.74
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-ethyl-4-(oxolan-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 115026943
5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine
CID 134854426
5-ethyl-6-methyl-2-(oxolan-2-yl)pyrimidin-4-amine
CID 65328606
2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 82429608
6-methyl-2-(oxolan-2-yl)pyridin-3-ol
CID 68852704
2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole
CID 115028945
4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine
CID 102538380
4-(oxolan-2-yl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 115028003
2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid
CID 115027230
6-chloro-2-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459193
N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82463293
2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 115036116

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole?
The IUPAC name of 2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole (CID 115022436) is 2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole is CCc1oc(Cl)nc1C1CCCO1.
What is the InChIKey of 2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole?
The InChIKey is CVQKQTFJIQFPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-2-6-8(11-9(10)13-6)7-4-3-5-12-7/h7H,2-5H2,1H3.
What are the key properties of 2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole?
2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole has a molecular weight of 201.65 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole is sourced from PubChem (CID 115022436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).