N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate

C12H22N2O3 — CID 160647596

IUPACN,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate
SMILESCCN(CC)CC.CCOC(=O)c1ccon1
InChIInChI=1S/C6H7NO3.C6H15N/c1-2-9-6(8)5-3-4-10-7-5;1-4-7(5-2)6-3/h3-4H,2H2,1H3;4-6H2,1-3H3
InChIKeyRJZKNWATDUGNHU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.20
Rot. Bonds5

About N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate

N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate (PubChem CID 160647596) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate.

Molecular Properties

Compound NameN,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate
PubChem CID160647596
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate
SMILESCCN(CC)CC.CCOC(=O)c1ccon1
InChIInChI=1S/C6H7NO3.C6H15N/c1-2-9-6(8)5-3-4-10-7-5;1-4-7(5-2)6-3/h3-4H,2H2,1H3;4-6H2,1-3H3
InChIKeyRJZKNWATDUGNHU-UHFFFAOYSA-N
XLogP2.20
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate
CID 153446437
24-methylpentacosyl 1,2-oxazole-3-carboxylate
CID 174907078
ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate
CID 79001277
ethyl 3-iodo-1-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxylate
CID 122155131
3-[ethyl(1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 62826001
2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid
CID 94000771
ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
CID 171811452
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611
ethyl 4-(diethylaminomethyl)benzoate
CID 786451
N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide
CID 63229882
ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate
CID 121206161
ethyl 5-(1,2-oxazol-3-yl)-1,2,4-oxadiazole-3-carboxylate;5-(1,2-oxazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 70982255

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate?
The IUPAC name of N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate (CID 160647596) is N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate.
What is the SMILES notation for N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate?
The canonical SMILES for N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate is CCN(CC)CC.CCOC(=O)c1ccon1.
What is the InChIKey of N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate?
The InChIKey is RJZKNWATDUGNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3.C6H15N/c1-2-9-6(8)5-3-4-10-7-5;1-4-7(5-2)6-3/h3-4H,2H2,1H3;4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate?
N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate is sourced from PubChem (CID 160647596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).