N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide

C14H20N4O2 — CID 100743436

IUPACN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide
SMILESCCc1noc(CC)c1CNC(=O)c1nccn1CC
InChIInChI=1S/C14H20N4O2/c1-4-11-10(12(5-2)20-17-11)9-16-14(19)13-15-7-8-18(13)6-3/h7-8H,4-6,9H2,1-3H3,(H,16,19)
InChIKeyGSRCWIQPHNHANU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.95
Rot. Bonds6

About N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide

N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide (PubChem CID 100743436) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide
PubChem CID100743436
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide
SMILESCCc1noc(CC)c1CNC(=O)c1nccn1CC
InChIInChI=1S/C14H20N4O2/c1-4-11-10(12(5-2)20-17-11)9-16-14(19)13-15-7-8-18(13)6-3/h7-8H,4-6,9H2,1-3H3,(H,16,19)
InChIKeyGSRCWIQPHNHANU-UHFFFAOYSA-N
XLogP1.95
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide?
The IUPAC name of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide (CID 100743436) is N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide.
What is the SMILES notation for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide?
The canonical SMILES for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide is CCc1noc(CC)c1CNC(=O)c1nccn1CC.
What is the InChIKey of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide?
The InChIKey is GSRCWIQPHNHANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-11-10(12(5-2)20-17-11)9-16-14(19)13-15-7-8-18(13)6-3/h7-8H,4-6,9H2,1-3H3,(H,16,19).
What are the key properties of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide?
N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-ethylimidazole-2-carboxamide is sourced from PubChem (CID 100743436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).