10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide

C28H27N5O2 — CID 130437267

IUPAC10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide
SMILESCN(C)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)c2)C2CCCC32)c1
InChIInChI=1S/C28H27N5O2/c1-32(2)21-9-4-6-18(15-21)24-13-12-23-22-10-5-11-25(22)33(27(23)31-24)28(34)30-20-8-3-7-19(14-20)26-16-29-17-35-26/h3-4,6-9,12-17,22,25H,5,10-11H2,1-2H3,(H,30,34)
InChIKeyQPJCKYJCMJNUGC-UHFFFAOYSA-N
MW465.56 g/mol
LogP6.16
Rot. Bonds4

About 10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide

10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide (PubChem CID 130437267) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide.

Molecular Properties

Compound Name10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide
PubChem CID130437267
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide
SMILESCN(C)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)c2)C2CCCC32)c1
InChIInChI=1S/C28H27N5O2/c1-32(2)21-9-4-6-18(15-21)24-13-12-23-22-10-5-11-25(22)33(27(23)31-24)28(34)30-20-8-3-7-19(14-20)26-16-29-17-35-26/h3-4,6-9,12-17,22,25H,5,10-11H2,1-2H3,(H,30,34)
InChIKeyQPJCKYJCMJNUGC-UHFFFAOYSA-N
XLogP6.16
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide with MolForge

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Related Compounds

(9S)-5-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide
CID 86293382
(9R)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118124603
(9S)-5-(2-methyl-4-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118969310
5-(3-fluorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide
CID 118974384
1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea
CID 72886720
(9R)-5-[3-(1,1-difluoroethyl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118124585
(9R)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 86292811
10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide
CID 130437286
(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 125179035
2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 118789446
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
N-(4,6-dimethyl-2-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide
CID 130436991

Frequently Asked Questions

What is the IUPAC name of 10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide?
The IUPAC name of 10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide (CID 130437267) is 10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide.
What is the SMILES notation for 10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide?
The canonical SMILES for 10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide is CN(C)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)c2)C2CCCC32)c1.
What is the InChIKey of 10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide?
The InChIKey is QPJCKYJCMJNUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-32(2)21-9-4-6-18(15-21)24-13-12-23-22-10-5-11-25(22)33(27(23)31-24)28(34)30-20-8-3-7-19(14-20)26-16-29-17-35-26/h3-4,6-9,12-17,22,25H,5,10-11H2,1-2H3,(H,30,34).
What are the key properties of 10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide?
10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(dimethylamino)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide is sourced from PubChem (CID 130437267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).