7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C18H15N3O3 — CID 6621302

IUPAC7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)Nc3cccnc3)noc1-2
InChIInChI=1S/C18H15N3O3/c1-23-13-5-7-14-11(9-13)4-6-15-16(21-24-17(14)15)18(22)20-12-3-2-8-19-10-12/h2-3,5,7-10H,4,6H2,1H3,(H,20,22)
InChIKeyVFOSQWYFSBUDSP-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.10
Rot. Bonds3

About 7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 6621302) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID6621302
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)Nc3cccnc3)noc1-2
InChIInChI=1S/C18H15N3O3/c1-23-13-5-7-14-11(9-13)4-6-15-16(21-24-17(14)15)18(22)20-12-3-2-8-19-10-12/h2-3,5,7-10H,4,6H2,1H3,(H,20,22)
InChIKeyVFOSQWYFSBUDSP-UHFFFAOYSA-N
XLogP3.10
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 17253421
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 17253431
13-methoxy-3-oxa-4-azatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),4,12,14-pentaene-5-carboxylic acid
CID 118514645
N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271796
8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 46087308
(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17253405
5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide
CID 167989756
N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 41139817
7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954035
N-[1-(4-ethylphenyl)-2,3-dimethyl-5-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
CID 126715948
5-methoxy-2-nitro-N-pyridin-3-ylbenzamide
CID 47401859
8-methoxy-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 92760139

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of 7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 6621302) is 7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is COc1ccc2c(c1)CCc1c(C(=O)Nc3cccnc3)noc1-2.
What is the InChIKey of 7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is VFOSQWYFSBUDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-23-13-5-7-14-11(9-13)4-6-15-16(21-24-17(14)15)18(22)20-12-3-2-8-19-10-12/h2-3,5,7-10H,4,6H2,1H3,(H,20,22).
What are the key properties of 7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 6621302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).