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

C20H22N4O — CID 75367436

IUPAC1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2cccnc2)C3)cc1
InChIInChI=1S/C20H22N4O/c1-15-4-6-17(7-5-15)19-13-24-12-18(25-14-20(24)23-19)11-22-10-16-3-2-8-21-9-16/h2-9,13,18,22H,10-12,14H2,1H3/t18-/m0/s1
InChIKeyGZCQGDMAYDZIJZ-SFHVURJKSA-N
MW334.42 g/mol
LogP2.94
Rot. Bonds5

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

1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 75367436) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID75367436
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2cccnc2)C3)cc1
InChIInChI=1S/C20H22N4O/c1-15-4-6-17(7-5-15)19-13-24-12-18(25-14-20(24)23-19)11-22-10-16-3-2-8-21-9-16/h2-9,13,18,22H,10-12,14H2,1H3/t18-/m0/s1
InChIKeyGZCQGDMAYDZIJZ-SFHVURJKSA-N
XLogP2.94
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine (CID 75367436) is 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine is Cc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2cccnc2)C3)cc1.
What is the InChIKey of 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is GZCQGDMAYDZIJZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-4-6-17(7-5-15)19-13-24-12-18(25-14-20(24)23-19)11-22-10-16-3-2-8-21-9-16/h2-9,13,18,22H,10-12,14H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine?
1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 334.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 75367436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).