N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine

C24H26N4O — CID 162798839

IUPACN-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESCc1ccc(-c2cn3c(n2)COC(CNCc2cn(C)c4ccccc24)C3)cc1
InChIInChI=1S/C24H26N4O/c1-17-7-9-18(10-8-17)22-15-28-14-20(29-16-24(28)26-22)12-25-11-19-13-27(2)23-6-4-3-5-21(19)23/h3-10,13,15,20,25H,11-12,14,16H2,1-2H3
InChIKeyLKWNXPFJYWAESY-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.04
Rot. Bonds5

About N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine

N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (PubChem CID 162798839) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
PubChem CID162798839
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESCc1ccc(-c2cn3c(n2)COC(CNCc2cn(C)c4ccccc24)C3)cc1
InChIInChI=1S/C24H26N4O/c1-17-7-9-18(10-8-17)22-15-28-14-20(29-16-24(28)26-22)12-25-11-19-13-27(2)23-6-4-3-5-21(19)23/h3-10,13,15,20,25H,11-12,14,16H2,1-2H3
InChIKeyLKWNXPFJYWAESY-UHFFFAOYSA-N
XLogP4.04
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine
CID 162798270
1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 75367391
N-[(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methyl]propan-2-amine
CID 163083142
N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 107236288
N-[4-[[[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide
CID 75367354
N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 115209330
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine
CID 166321610
1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine
CID 107235576
N-[(1-methylindol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 107235936
1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 107235921
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (CID 162798839) is N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is Cc1ccc(-c2cn3c(n2)COC(CNCc2cn(C)c4ccccc24)C3)cc1.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The InChIKey is LKWNXPFJYWAESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-7-9-18(10-8-17)22-15-28-14-20(29-16-24(28)26-22)12-25-11-19-13-27(2)23-6-4-3-5-21(19)23/h3-10,13,15,20,25H,11-12,14,16H2,1-2H3.
What are the key properties of N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine has a molecular weight of 386.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is sourced from PubChem (CID 162798839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).