N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide

C17H26N4O — CID 141127979

IUPACN-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(C2=NOCC2)cc1)N(C)CCN(CC)CC
InChIInChI=1S/C17H26N4O/c1-4-21(5-2)12-11-20(3)17(18)15-8-6-14(7-9-15)16-10-13-22-19-16/h6-9,18H,4-5,10-13H2,1-3H3/b18-17-
InChIKeyMNOLZKOPJUTWPA-ZCXUNETKSA-N
MW302.42 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide

N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide (PubChem CID 141127979) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide
PubChem CID141127979
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(C2=NOCC2)cc1)N(C)CCN(CC)CC
InChIInChI=1S/C17H26N4O/c1-4-21(5-2)12-11-20(3)17(18)15-8-6-14(7-9-15)16-10-13-22-19-16/h6-9,18H,4-5,10-13H2,1-3H3/b18-17-
InChIKeyMNOLZKOPJUTWPA-ZCXUNETKSA-N
XLogP2.41
TPSA51.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Imolamine
CID 27501
1,2,4-Oxadiazole-4(5H)-ethanamine, N,N-diethyl-5-imino-3-phenyl-, hydrochloride (1:1)
CID 23619293
(2S)-2-[3-(3-fluoro-4-nonylphenyl)-6H-1,2,4-oxadiazin-5-yl]pyrrolidine-1-carboximidamide
CID 155618890
2-[4-[[3-[4-(N,N-diethylcarbamimidoyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperazin-1-yl]acetic acid
CID 18407560
2-[4-[[3-[4-(N-ethyl-N-methylcarbamimidoyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperazin-1-yl]acetic acid
CID 18407608
4-(8-Butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide
CID 20622642
4-(8-Ethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide
CID 20622644
4-(8-Pentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide
CID 20622647
4-[8-(2-Hydroxyethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide
CID 20686993
4-[8-(4-Hydroxybutyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzenecarboximidamide
CID 20686996
4-(4,5-Dihydro-1,2-oxazol-3-yl)benzenecarboximidamide
CID 22934841
4-(8-Methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)benzenecarboximidamide
CID 22975700

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide (CID 141127979) is N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide is [H]/N=C(/c1ccc(C2=NOCC2)cc1)N(C)CCN(CC)CC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide?
The InChIKey is MNOLZKOPJUTWPA-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-21(5-2)12-11-20(3)17(18)15-8-6-14(7-9-15)16-10-13-22-19-16/h6-9,18H,4-5,10-13H2,1-3H3/b18-17-.
What are the key properties of N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide?
N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide has a molecular weight of 302.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,2-oxazol-3-yl)-N-methylbenzenecarboximidamide is sourced from PubChem (CID 141127979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).