7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C17H20N2O3 — CID 4063793

IUPAC7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)NCC(C)C)noc1-2
InChIInChI=1S/C17H20N2O3/c1-10(2)9-18-17(20)15-14-6-4-11-8-12(21-3)5-7-13(11)16(14)22-19-15/h5,7-8,10H,4,6,9H2,1-3H3,(H,18,20)
InChIKeyIMPJKZKJSIISAI-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.83
Rot. Bonds4

About 7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 4063793) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID4063793
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)NCC(C)C)noc1-2
InChIInChI=1S/C17H20N2O3/c1-10(2)9-18-17(20)15-14-6-4-11-8-12(21-3)5-7-13(11)16(14)22-19-15/h5,7-8,10H,4,6,9H2,1-3H3,(H,18,20)
InChIKeyIMPJKZKJSIISAI-UHFFFAOYSA-N
XLogP2.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118796836
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5017077
N-cyclopentyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 6619102
5-(1,3-benzodioxol-5-yl)-N-isobutylisoxazole-3-carboxamide
CID 15993269
1-{[5-(4-Methoxyphenyl)-3-isoxazolyl]carbonyl}azepane
CID 17252833
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3239886
7-methoxy-N-(2-methoxyethyl)-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide
CID 3239940
5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 3240709
N-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3242135
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7-methoxy-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide
CID 3242723
N-(Butan-2-YL)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 4518585

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of 7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 4063793) is 7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is COc1ccc2c(c1)CCc1c(C(=O)NCC(C)C)noc1-2.
What is the InChIKey of 7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is IMPJKZKJSIISAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10(2)9-18-17(20)15-14-6-4-11-8-12(21-3)5-7-13(11)16(14)22-19-15/h5,7-8,10H,4,6,9H2,1-3H3,(H,18,20).
What are the key properties of 7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 4063793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).