3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine

C17H18N4O — CID 117474939

IUPAC3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine
SMILESCn1c2c(c3cccc(-c4cc(N)on4)c31)C1CCN2CC1
InChIInChI=1S/C17H18N4O/c1-20-16-11(13-9-14(18)22-19-13)3-2-4-12(16)15-10-5-7-21(8-6-10)17(15)20/h2-4,9-10H,5-8,18H2,1H3
InChIKeyUJRSEYCWBIEKNQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.11
Rot. Bonds1

About 3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine

3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine (PubChem CID 117474939) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine
PubChem CID117474939
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine
SMILESCn1c2c(c3cccc(-c4cc(N)on4)c31)C1CCN2CC1
InChIInChI=1S/C17H18N4O/c1-20-16-11(13-9-14(18)22-19-13)3-2-4-12(16)15-10-5-7-21(8-6-10)17(15)20/h2-4,9-10H,5-8,18H2,1H3
InChIKeyUJRSEYCWBIEKNQ-UHFFFAOYSA-N
XLogP3.11
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine with MolForge

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Related Compounds

(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)methanol
CID 117274366
[1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine
CID 117494241
9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 117451850
3-(2-piperidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117360434
2-amino-3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propanoic acid
CID 117482343
3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine
CID 117306857
1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopropane-1-carboxylic acid
CID 117477650
1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine
CID 117492414
3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol
CID 115108539
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazol-5-amine
CID 115108348
3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine
CID 117394464
5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine
CID 117448028

Frequently Asked Questions

What is the IUPAC name of 3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine (CID 117474939) is 3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine is Cn1c2c(c3cccc(-c4cc(N)on4)c31)C1CCN2CC1.
What is the InChIKey of 3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine?
The InChIKey is UJRSEYCWBIEKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-20-16-11(13-9-14(18)22-19-13)3-2-4-12(16)15-10-5-7-21(8-6-10)17(15)20/h2-4,9-10H,5-8,18H2,1H3.
What are the key properties of 3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine?
3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine has a molecular weight of 294.36 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117474939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).