(6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide

C17H21N5O2 — CID 138019944

IUPAC(6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
SMILESCc1ncoc1CNC(=O)N1Cc2cccnc2N2CCC[C@@H]2C1
InChIInChI=1S/C17H21N5O2/c1-12-15(24-11-20-12)8-19-17(23)21-9-13-4-2-6-18-16(13)22-7-3-5-14(22)10-21/h2,4,6,11,14H,3,5,7-10H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyVQQXSPGYDHUTFO-CQSZACIVSA-N
MW327.39 g/mol
LogP2.07
Rot. Bonds2

About (6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide

(6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide (PubChem CID 138019944) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide.

Molecular Properties

Compound Name(6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
PubChem CID138019944
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
SMILESCc1ncoc1CNC(=O)N1Cc2cccnc2N2CCC[C@@H]2C1
InChIInChI=1S/C17H21N5O2/c1-12-15(24-11-20-12)8-19-17(23)21-9-13-4-2-6-18-16(13)22-7-3-5-14(22)10-21/h2,4,6,11,14H,3,5,7-10H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyVQQXSPGYDHUTFO-CQSZACIVSA-N
XLogP2.07
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The IUPAC name of (6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide (CID 138019944) is (6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide.
What is the SMILES notation for (6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The canonical SMILES for (6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide is Cc1ncoc1CNC(=O)N1Cc2cccnc2N2CCC[C@@H]2C1.
What is the InChIKey of (6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The InChIKey is VQQXSPGYDHUTFO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-15(24-11-20-12)8-19-17(23)21-9-13-4-2-6-18-16(13)22-7-3-5-14(22)10-21/h2,4,6,11,14H,3,5,7-10H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
(6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide is sourced from PubChem (CID 138019944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).