1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea

C21H21FN4O2 — CID 163076154

IUPAC1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea
SMILESO=C(NCc1ccccc1)NCC1Cn2c(-c3ccc(F)cc3)cnc2CO1
InChIInChI=1S/C21H21FN4O2/c22-17-8-6-16(7-9-17)19-12-23-20-14-28-18(13-26(19)20)11-25-21(27)24-10-15-4-2-1-3-5-15/h1-9,12,18H,10-11,13-14H2,(H2,24,25,27)
InChIKeyMQTJZCLZUSEVRF-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.09
Rot. Bonds5

About 1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea

1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea (PubChem CID 163076154) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea
PubChem CID163076154
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea
SMILESO=C(NCc1ccccc1)NCC1Cn2c(-c3ccc(F)cc3)cnc2CO1
InChIInChI=1S/C21H21FN4O2/c22-17-8-6-16(7-9-17)19-12-23-20-14-28-18(13-26(19)20)11-25-21(27)24-10-15-4-2-1-3-5-15/h1-9,12,18H,10-11,13-14H2,(H2,24,25,27)
InChIKeyMQTJZCLZUSEVRF-UHFFFAOYSA-N
XLogP3.09
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
CID 75367461
1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 162808525
2-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylcarbamoyl]benzoic acid
CID 75367448
1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea
CID 162798838
N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzenesulfonamide
CID 162900801
1-benzyl-3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]urea
CID 110747054
1-(azetidin-3-ylmethyl)-3-benzylurea
CID 117235420
N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
CID 75367547
1-benzyl-3-[[(2R,4S,5R)-5-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
CID 25389045
N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4866947
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 131663207

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea?
The IUPAC name of 1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea (CID 163076154) is 1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea.
What is the SMILES notation for 1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea?
The canonical SMILES for 1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea is O=C(NCc1ccccc1)NCC1Cn2c(-c3ccc(F)cc3)cnc2CO1.
What is the InChIKey of 1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea?
The InChIKey is MQTJZCLZUSEVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-8-6-16(7-9-17)19-12-23-20-14-28-18(13-26(19)20)11-25-21(27)24-10-15-4-2-1-3-5-15/h1-9,12,18H,10-11,13-14H2,(H2,24,25,27).
What are the key properties of 1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea?
1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea has a molecular weight of 380.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea is sourced from PubChem (CID 163076154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).