N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C15H16N2O2 — CID 5309634

IUPACN-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCCCNC(=O)c1noc2c1CCc1ccccc1-2
InChIInChI=1S/C15H16N2O2/c1-2-9-16-15(18)13-12-8-7-10-5-3-4-6-11(10)14(12)19-17-13/h3-6H,2,7-9H2,1H3,(H,16,18)
InChIKeyPJGPFPBITKSDBX-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.58
Rot. Bonds3

About N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 5309634) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID5309634
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCCCNC(=O)c1noc2c1CCc1ccccc1-2
InChIInChI=1S/C15H16N2O2/c1-2-9-16-15(18)13-12-8-7-10-5-3-4-6-11(10)14(12)19-17-13/h3-6H,2,7-9H2,1H3,(H,16,18)
InChIKeyPJGPFPBITKSDBX-UHFFFAOYSA-N
XLogP2.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 5309634) is N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is CCCNC(=O)c1noc2c1CCc1ccccc1-2.
What is the InChIKey of N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is PJGPFPBITKSDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-9-16-15(18)13-12-8-7-10-5-3-4-6-11(10)14(12)19-17-13/h3-6H,2,7-9H2,1H3,(H,16,18).
What are the key properties of N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 5309634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).