1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea

C17H21ClN4O2 — CID 162798838

IUPAC1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1Cn2c(-c3ccc(Cl)cc3)cnc2CO1
InChIInChI=1S/C17H21ClN4O2/c1-11(2)21-17(23)20-7-14-9-22-15(8-19-16(22)10-24-14)12-3-5-13(18)6-4-12/h3-6,8,11,14H,7,9-10H2,1-2H3,(H2,20,21,23)
InChIKeyIJNGDZNWBSMVSZ-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.81
Rot. Bonds4

About 1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea

1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea (PubChem CID 162798838) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea
PubChem CID162798838
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1Cn2c(-c3ccc(Cl)cc3)cnc2CO1
InChIInChI=1S/C17H21ClN4O2/c1-11(2)21-17(23)20-7-14-9-22-15(8-19-16(22)10-24-14)12-3-5-13(18)6-4-12/h3-6,8,11,14H,7,9-10H2,1-2H3,(H2,20,21,23)
InChIKeyIJNGDZNWBSMVSZ-UHFFFAOYSA-N
XLogP2.81
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
CID 162802327
2-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylcarbamoyl]benzoic acid
CID 75367448
1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea
CID 163076154
4-chloro-N-[[(6R)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzenesulfonamide
CID 75367472
N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzenesulfonamide
CID 162900801
N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
CID 75367461
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-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 162808525
1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine
CID 162798715
1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 75367582
1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea
CID 17182016
4-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide
CID 90557180

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea (CID 162798838) is 1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC1Cn2c(-c3ccc(Cl)cc3)cnc2CO1.
What is the InChIKey of 1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea?
The InChIKey is IJNGDZNWBSMVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-11(2)21-17(23)20-7-14-9-22-15(8-19-16(22)10-24-14)12-3-5-13(18)6-4-12/h3-6,8,11,14H,7,9-10H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea?
1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea has a molecular weight of 348.83 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 162798838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).