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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Related Compounds

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CID 3241714
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CID 5309956
5-methyl-N-(2-(2-methyl-1H-imidazol-1-yl)ethyl)isoxazole-3-carboxamide
CID 49624776
3,5-Dimethyl-4-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 53566665
3,5-Dimethyl-4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 53577382
(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53612086
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
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3-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 53623428
1-[(3,5-dimethyl-4-isoxazolyl)acetyl]-3-[(2-methyl-1H-imidazol-1-yl)methyl]piperidine
CID 70730701
5-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propyl-3-isoxazolecarboxamide
CID 70777484
3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 84585206
N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 97467573

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).