1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea

C17H18N4O3 — CID 46909514

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)no1
InChIInChI=1S/C17H18N4O3/c1-10-9-14(20-24-10)19-17(23)18-12-6-4-5-11-15(12)13-7-2-3-8-21(13)16(11)22/h4-6,9,13H,2-3,7-8H2,1H3,(H2,18,19,20,23)
InChIKeyRTWNUOBNGIOEKA-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.31
Rot. Bonds2

About 1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea

1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (PubChem CID 46909514) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
PubChem CID46909514
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)no1
InChIInChI=1S/C17H18N4O3/c1-10-9-14(20-24-10)19-17(23)18-12-6-4-5-11-15(12)13-7-2-3-8-21(13)16(11)22/h4-6,9,13H,2-3,7-8H2,1H3,(H2,18,19,20,23)
InChIKeyRTWNUOBNGIOEKA-UHFFFAOYSA-N
XLogP3.31
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (CID 46909514) is 1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is Cc1cc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The InChIKey is RTWNUOBNGIOEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10-9-14(20-24-10)19-17(23)18-12-6-4-5-11-15(12)13-7-2-3-8-21(13)16(11)22/h4-6,9,13H,2-3,7-8H2,1H3,(H2,18,19,20,23).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea has a molecular weight of 326.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is sourced from PubChem (CID 46909514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).