N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide

C11H18N2O2 — CID 86165247

IUPACN,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1coc(C(C)C)n1
InChIInChI=1S/C11H18N2O2/c1-5-13(6-2)11(14)9-7-15-10(12-9)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyCVEVQKQZTOKVGS-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.28
Rot. Bonds4

About N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide

N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 86165247) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID86165247
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1coc(C(C)C)n1
InChIInChI=1S/C11H18N2O2/c1-5-13(6-2)11(14)9-7-15-10(12-9)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyCVEVQKQZTOKVGS-UHFFFAOYSA-N
XLogP2.28
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one
CID 133054612
piperidin-1-yl-(2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 141385532
2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid
CID 161037098
4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole
CID 139505613
2-[(2R)-hexan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-hexan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-3-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-3-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;bis(2-propan-2-yl-1,3-oxazole-4-carboxylic acid)
CID 162015663
2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide
CID 77463883
2-[(2S)-hexan-2-yl]-1,3-oxazole-4-carboxylic acid
CID 162015662
2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 3469649
2-amino-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 62788372
N,N-diethyl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26403838
N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109295192
6-N,6-N-diethyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109098987

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide (CID 86165247) is N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide is CCN(CC)C(=O)c1coc(C(C)C)n1.
What is the InChIKey of N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is CVEVQKQZTOKVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-13(6-2)11(14)9-7-15-10(12-9)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86165247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).