3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one

C15H15N3O2 — CID 28815458

IUPAC3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(-c3cc4c([nH]3)CCNC4)ccc21
InChIInChI=1S/C15H15N3O2/c1-18-13-3-2-9(7-14(13)20-15(18)19)12-6-10-8-16-5-4-11(10)17-12/h2-3,6-7,16-17H,4-5,8H2,1H3
InChIKeyQXGZGVNTJRDTJX-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.77
Rot. Bonds1

About 3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one

3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one (PubChem CID 28815458) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one
PubChem CID28815458
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(-c3cc4c([nH]3)CCNC4)ccc21
InChIInChI=1S/C15H15N3O2/c1-18-13-3-2-9(7-14(13)20-15(18)19)12-6-10-8-16-5-4-11(10)17-12/h2-3,6-7,16-17H,4-5,8H2,1H3
InChIKeyQXGZGVNTJRDTJX-UHFFFAOYSA-N
XLogP1.77
TPSA62.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one (CID 28815458) is 3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(-c3cc4c([nH]3)CCNC4)ccc21.
What is the InChIKey of 3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one?
The InChIKey is QXGZGVNTJRDTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18-13-3-2-9(7-14(13)20-15(18)19)12-6-10-8-16-5-4-11(10)17-12/h2-3,6-7,16-17H,4-5,8H2,1H3.
What are the key properties of 3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one?
3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one has a molecular weight of 269.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 28815458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).