1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea

C18H22N4O3 — CID 171801321

IUPAC1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea
SMILESCc1ncc2n1C(c1ccc(NC(=O)N[C@H]3CCOC3)cc1)COC2
InChIInChI=1S/C18H22N4O3/c1-12-19-8-16-10-25-11-17(22(12)16)13-2-4-14(5-3-13)20-18(23)21-15-6-7-24-9-15/h2-5,8,15,17H,6-7,9-11H2,1H3,(H2,20,21,23)/t15-,17?/m0/s1
InChIKeyAJGQTHQIDYOCMB-MYJWUSKBSA-N
MW342.40 g/mol
LogP2.22
Rot. Bonds3

About 1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea

1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea (PubChem CID 171801321) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea.

Molecular Properties

Compound Name1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea
PubChem CID171801321
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea
SMILESCc1ncc2n1C(c1ccc(NC(=O)N[C@H]3CCOC3)cc1)COC2
InChIInChI=1S/C18H22N4O3/c1-12-19-8-16-10-25-11-17(22(12)16)13-2-4-14(5-3-13)20-18(23)21-15-6-7-24-9-15/h2-5,8,15,17H,6-7,9-11H2,1H3,(H2,20,21,23)/t15-,17?/m0/s1
InChIKeyAJGQTHQIDYOCMB-MYJWUSKBSA-N
XLogP2.22
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea with MolForge

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Related Compounds

1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea
CID 115758908
1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea
CID 115759514
2-methyl-2-[4-(oxolan-3-ylcarbamoylamino)phenyl]propanoic acid
CID 80549065
1-(5-hydroxy-2-pyridinyl)-3-(oxolan-3-yl)urea
CID 175479949
3-[4-(oxolan-3-ylcarbamoylamino)phenyl]butanoic acid
CID 104501854
2-fluoro-4-(oxolan-3-ylcarbamoylamino)benzoic acid
CID 107793067
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 106370612
N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide
CID 97272330
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
2-bromo-5-(oxolan-3-ylcarbamoylamino)benzoic acid
CID 115295933
1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 115758945
1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 113322039

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea?
The IUPAC name of 1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea (CID 171801321) is 1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea.
What is the SMILES notation for 1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea?
The canonical SMILES for 1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea is Cc1ncc2n1C(c1ccc(NC(=O)N[C@H]3CCOC3)cc1)COC2.
What is the InChIKey of 1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea?
The InChIKey is AJGQTHQIDYOCMB-MYJWUSKBSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-19-8-16-10-25-11-17(22(12)16)13-2-4-14(5-3-13)20-18(23)21-15-6-7-24-9-15/h2-5,8,15,17H,6-7,9-11H2,1H3,(H2,20,21,23)/t15-,17?/m0/s1.
What are the key properties of 1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea?
1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea has a molecular weight of 342.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea is sourced from PubChem (CID 171801321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).