1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine

C22H22F3N3O3 — CID 75367361

IUPAC1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCOc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(OC(F)(F)F)cc2)C3)cc1
InChIInChI=1S/C22H22F3N3O3/c1-29-17-8-4-16(5-9-17)20-13-28-12-19(30-14-21(28)27-20)11-26-10-15-2-6-18(7-3-15)31-22(23,24)25/h2-9,13,19,26H,10-12,14H2,1H3/t19-/m0/s1
InChIKeyGHPAPFQALHNADU-IBGZPJMESA-N
MW433.43 g/mol
LogP4.15
Rot. Bonds7

About 1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine

1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine (PubChem CID 75367361) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is 1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
PubChem CID75367361
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC Name1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCOc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(OC(F)(F)F)cc2)C3)cc1
InChIInChI=1S/C22H22F3N3O3/c1-29-17-8-4-16(5-9-17)20-13-28-12-19(30-14-21(28)27-20)11-26-10-15-2-6-18(7-3-15)31-22(23,24)25/h2-9,13,19,26H,10-12,14H2,1H3/t19-/m0/s1
InChIKeyGHPAPFQALHNADU-IBGZPJMESA-N
XLogP4.15
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine (CID 75367361) is 1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine is COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(OC(F)(F)F)cc2)C3)cc1.
What is the InChIKey of 1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is GHPAPFQALHNADU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-29-17-8-4-16(5-9-17)20-13-28-12-19(30-14-21(28)27-20)11-26-10-15-2-6-18(7-3-15)31-22(23,24)25/h2-9,13,19,26H,10-12,14H2,1H3/t19-/m0/s1.
What are the key properties of 1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 433.43 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 75367361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).