(5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide

C19H18N6O2 — CID 130437418

IUPAC(5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide
SMILESCc1noc(C)c1-c1ccc2c(n1)N(C(=O)Nc1ccccn1)[C@H]1CCN21
InChIInChI=1S/C19H18N6O2/c1-11-17(12(2)27-23-11)13-6-7-14-18(21-13)25(16-8-10-24(14)16)19(26)22-15-5-3-4-9-20-15/h3-7,9,16H,8,10H2,1-2H3,(H,20,22,26)/t16-/m0/s1
InChIKeyKKOJOGOXAGUHFW-INIZCTEOSA-N
MW362.39 g/mol
LogP3.34
Rot. Bonds2

About (5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide

(5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide (PubChem CID 130437418) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is (5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide.

Molecular Properties

Compound Name(5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide
PubChem CID130437418
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name(5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide
SMILESCc1noc(C)c1-c1ccc2c(n1)N(C(=O)Nc1ccccn1)[C@H]1CCN21
InChIInChI=1S/C19H18N6O2/c1-11-17(12(2)27-23-11)13-6-7-14-18(21-13)25(16-8-10-24(14)16)19(26)22-15-5-3-4-9-20-15/h3-7,9,16H,8,10H2,1-2H3,(H,20,22,26)/t16-/m0/s1
InChIKeyKKOJOGOXAGUHFW-INIZCTEOSA-N
XLogP3.34
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide?
The IUPAC name of (5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide (CID 130437418) is (5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide.
What is the SMILES notation for (5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide?
The canonical SMILES for (5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide is Cc1noc(C)c1-c1ccc2c(n1)N(C(=O)Nc1ccccn1)[C@H]1CCN21.
What is the InChIKey of (5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide?
The InChIKey is KKOJOGOXAGUHFW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-11-17(12(2)27-23-11)13-6-7-14-18(21-13)25(16-8-10-24(14)16)19(26)22-15-5-3-4-9-20-15/h3-7,9,16H,8,10H2,1-2H3,(H,20,22,26)/t16-/m0/s1.
What are the key properties of (5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide?
(5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-yl-2,6,8-triazatricyclo[5.4.0.02,5]undeca-1(7),8,10-triene-6-carboxamide is sourced from PubChem (CID 130437418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).