1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine

C22H21ClN4O — CID 75367631

IUPAC1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine
SMILESClc1cccc(-c2cnc3n2C[C@H](CNCc2c[nH]c4ccccc24)OC3)c1
InChIInChI=1S/C22H21ClN4O/c23-17-5-3-4-15(8-17)21-12-26-22-14-28-18(13-27(21)22)11-24-9-16-10-25-20-7-2-1-6-19(16)20/h1-8,10,12,18,24-25H,9,11,13-14H2/t18-/m0/s1
InChIKeySUZTUCCVPHDGSJ-SFHVURJKSA-N
MW392.89 g/mol
LogP4.37
Rot. Bonds5

About 1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine

1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine (PubChem CID 75367631) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine
PubChem CID75367631
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine
SMILESClc1cccc(-c2cnc3n2C[C@H](CNCc2c[nH]c4ccccc24)OC3)c1
InChIInChI=1S/C22H21ClN4O/c23-17-5-3-4-15(8-17)21-12-26-22-14-28-18(13-27(21)22)11-24-9-16-10-25-20-7-2-1-6-19(16)20/h1-8,10,12,18,24-25H,9,11,13-14H2/t18-/m0/s1
InChIKeySUZTUCCVPHDGSJ-SFHVURJKSA-N
XLogP4.37
TPSA54.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine with MolForge

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Related Compounds

N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
CID 75367409
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
(2S)-2-[[2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 51521150
1-[6-(3-chlorophenyl)-1H-indol-3-yl]-N-methylmethanamine
CID 134357369
1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 60664434
1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106369834
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625
2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 78914442
(1H-indol-3-ylmethylamino)methanol
CID 115228988
1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 62325597
N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide
CID 17402933
1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 19626513

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine?
The IUPAC name of 1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine (CID 75367631) is 1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine?
The canonical SMILES for 1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine is Clc1cccc(-c2cnc3n2C[C@H](CNCc2c[nH]c4ccccc24)OC3)c1.
What is the InChIKey of 1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine?
The InChIKey is SUZTUCCVPHDGSJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-17-5-3-4-15(8-17)21-12-26-22-14-28-18(13-27(21)22)11-24-9-16-10-25-20-7-2-1-6-19(16)20/h1-8,10,12,18,24-25H,9,11,13-14H2/t18-/m0/s1.
What are the key properties of 1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine?
1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine has a molecular weight of 392.89 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine is sourced from PubChem (CID 75367631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).