2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide

C15H16N3O3+ — CID 173050802

IUPAC2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)(C(N)=O)C1=C[NH+]2C=COCC2=N1
InChIInChI=1S/C15H15N3O3/c1-15(14(16)19,21-11-5-3-2-4-6-11)12-9-18-7-8-20-10-13(18)17-12/h2-9H,10H2,1H3,(H2,16,19)/p+1
InChIKeyTXVRDYXKNMEQPX-UHFFFAOYSA-O
MW286.31 g/mol
LogP-0.05
Rot. Bonds4

About 2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide

2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide (PubChem CID 173050802) has the molecular formula C15H16N3O3+ and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide.

Molecular Properties

Compound Name2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide
PubChem CID173050802
Molecular FormulaC15H16N3O3+
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)(C(N)=O)C1=C[NH+]2C=COCC2=N1
InChIInChI=1S/C15H15N3O3/c1-15(14(16)19,21-11-5-3-2-4-6-11)12-9-18-7-8-20-10-13(18)17-12/h2-9H,10H2,1H3,(H2,16,19)/p+1
InChIKeyTXVRDYXKNMEQPX-UHFFFAOYSA-O
XLogP-0.05
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide
CID 67174112
2-phenoxy-2-(2-propan-2-ylphenyl)propanamide
CID 67172895
2-(1-benzofuran-5-yl)-2-phenoxypropanamide
CID 67174102
2,2-difluoro-2-phenoxyacetamide
CID 66930473
2-(ethylamino)-2-phenoxypropanamide
CID 174406191
tert-butyl (2S)-2-amino-3-phenoxypropanoate
CID 163342114
phenyl 2-amino-2-methylpropanoate
CID 22002021
3,3-dichloro-2-phenoxy-2-pyridin-2-yloxypropanamide
CID 70631337
1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one
CID 110346348
3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid
CID 69398776
2-amino-N-ethyl-2-phenoxypropanamide
CID 174406190
N-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid
CID 13059619

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide?
The IUPAC name of 2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide (CID 173050802) is 2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide.
What is the SMILES notation for 2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide?
The canonical SMILES for 2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide is CC(Oc1ccccc1)(C(N)=O)C1=C[NH+]2C=COCC2=N1.
What is the InChIKey of 2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide?
The InChIKey is TXVRDYXKNMEQPX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15N3O3/c1-15(14(16)19,21-11-5-3-2-4-6-11)12-9-18-7-8-20-10-13(18)17-12/h2-9H,10H2,1H3,(H2,16,19)/p+1.
What are the key properties of 2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide?
2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide has a molecular weight of 286.31 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dihydroimidazo[2,1-c][1,4]oxazin-4-ium-2-yl)-2-phenoxypropanamide is sourced from PubChem (CID 173050802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).