4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide

C10H15NO3 — CID 161484865

IUPAC4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide
SMILESCCc1ocnc1C(C)(C)C.O=C=O
InChIInChI=1S/C9H15NO.CO2/c1-5-7-8(9(2,3)4)10-6-11-7;2-1-3/h6H,5H2,1-4H3;
InChIKeyWEVPZKHDLYNQTN-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.95
Rot. Bonds1

About 4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide

4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide (PubChem CID 161484865) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide.

Molecular Properties

Compound Name4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide
PubChem CID161484865
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide
SMILESCCc1ocnc1C(C)(C)C.O=C=O
InChIInChI=1S/C9H15NO.CO2/c1-5-7-8(9(2,3)4)10-6-11-7;2-1-3/h6H,5H2,1-4H3;
InChIKeyWEVPZKHDLYNQTN-UHFFFAOYSA-N
XLogP1.95
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide 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

5-Ethyl-4-methyloxazole
CID 207286
Oxazole, 5-isobutyl-4-methyl-
CID 207289
Oxazole, 4-methyl-5-propyl-
CID 214134
Oxazole, 4-ethyl-5-methyl
CID 529031
4,5-Dipropyloxazole
CID 19964978
5-Tert-butyloxazole-4-carboxaldehyde
CID 21031488
4-Propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 57698712
5-Propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 139342279
4-Tert-butyl-2-fluoro-5-methyl-1,3-oxazole
CID 146378346
5-Tert-butyl-4-(1-fluoroethyl)-1,3-oxazole
CID 146379103
5-Tert-butyl-4-(trifluoromethyl)-1,3-oxazole
CID 146379139
4-Tert-butyl-5-(trifluoromethyl)-1,3-oxazole
CID 146379450

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide?
The IUPAC name of 4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide (CID 161484865) is 4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide.
What is the SMILES notation for 4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide?
The canonical SMILES for 4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide is CCc1ocnc1C(C)(C)C.O=C=O.
What is the InChIKey of 4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide?
The InChIKey is WEVPZKHDLYNQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.CO2/c1-5-7-8(9(2,3)4)10-6-11-7;2-1-3/h6H,5H2,1-4H3;.
What are the key properties of 4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide?
4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide has a molecular weight of 197.23 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-ethyl-1,3-oxazole;carbon dioxide is sourced from PubChem (CID 161484865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).