N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide

C16H15N5O3 — CID 53242193

IUPACN-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCc1cc(NC(=O)c2ccc3cc4n(c3n2)CCCNC4=O)no1
InChIInChI=1S/C16H15N5O3/c1-9-7-13(20-24-9)19-15(22)11-4-3-10-8-12-16(23)17-5-2-6-21(12)14(10)18-11/h3-4,7-8H,2,5-6H2,1H3,(H,17,23)(H,19,20,22)
InChIKeyBEWMLXSGKYXKGS-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.72
Rot. Bonds2

About N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 53242193) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID53242193
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCc1cc(NC(=O)c2ccc3cc4n(c3n2)CCCNC4=O)no1
InChIInChI=1S/C16H15N5O3/c1-9-7-13(20-24-9)19-15(22)11-4-3-10-8-12-16(23)17-5-2-6-21(12)14(10)18-11/h3-4,7-8H,2,5-6H2,1H3,(H,17,23)(H,19,20,22)
InChIKeyBEWMLXSGKYXKGS-UHFFFAOYSA-N
XLogP1.72
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (CID 53242193) is N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is Cc1cc(NC(=O)c2ccc3cc4n(c3n2)CCCNC4=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is BEWMLXSGKYXKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-9-7-13(20-24-9)19-15(22)11-4-3-10-8-12-16(23)17-5-2-6-21(12)14(10)18-11/h3-4,7-8H,2,5-6H2,1H3,(H,17,23)(H,19,20,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 53242193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).