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

C21H22FN3O2 — CID 75411308

IUPACN-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccc(F)cc1)C2
InChIInChI=1S/C21H22FN3O2/c1-26-20-5-3-2-4-18(20)19-13-25-12-17(27-14-21(25)24-19)11-23-10-15-6-8-16(22)9-7-15/h2-9,13,17,23H,10-12,14H2,1H3/t17-/m0/s1
InChIKeyLELYRTBJRWRPSQ-KRWDZBQOSA-N
MW367.42 g/mol
LogP3.39
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (PubChem CID 75411308) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
PubChem CID75411308
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccc(F)cc1)C2
InChIInChI=1S/C21H22FN3O2/c1-26-20-5-3-2-4-18(20)19-13-25-12-17(27-14-21(25)24-19)11-23-10-15-6-8-16(22)9-7-15/h2-9,13,17,23H,10-12,14H2,1H3/t17-/m0/s1
InChIKeyLELYRTBJRWRPSQ-KRWDZBQOSA-N
XLogP3.39
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (CID 75411308) is N-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is COc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccc(F)cc1)C2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The InChIKey is LELYRTBJRWRPSQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-26-20-5-3-2-4-18(20)19-13-25-12-17(27-14-21(25)24-19)11-23-10-15-6-8-16(22)9-7-15/h2-9,13,17,23H,10-12,14H2,1H3/t17-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
N-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine has a molecular weight of 367.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is sourced from PubChem (CID 75411308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).