N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide

C22H22N2O2 — CID 46101113

IUPACN-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C22H22N2O2/c1-2-3-8-20(25)23-17-12-9-16(10-13-17)22-19-14-11-15-6-4-5-7-18(15)21(19)24-26-22/h4-7,9-10,12-13H,2-3,8,11,14H2,1H3,(H,23,25)
InChIKeyRNRXITIONGWZGA-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.24
Rot. Bonds5

About N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide

N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide (PubChem CID 46101113) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide
PubChem CID46101113
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C22H22N2O2/c1-2-3-8-20(25)23-17-12-9-16(10-13-17)22-19-14-11-15-6-4-5-7-18(15)21(19)24-26-22/h4-7,9-10,12-13H,2-3,8,11,14H2,1H3,(H,23,25)
InChIKeyRNRXITIONGWZGA-UHFFFAOYSA-N
XLogP5.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-phenylbutanamide
CID 46101224
N-[4-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]octanamide
CID 46101177
N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide
CID 46101067
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]pentanamide
CID 50747831
N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 5309634
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)pentanamide
CID 5197316
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide
CID 46101134
N-[4-(methylamino)phenyl]pentanamide
CID 71040406

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide?
The IUPAC name of N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide (CID 46101113) is N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide.
What is the SMILES notation for N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide?
The canonical SMILES for N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide is CCCCC(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1.
What is the InChIKey of N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide?
The InChIKey is RNRXITIONGWZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-3-8-20(25)23-17-12-9-16(10-13-17)22-19-14-11-15-6-4-5-7-18(15)21(19)24-26-22/h4-7,9-10,12-13H,2-3,8,11,14H2,1H3,(H,23,25).
What are the key properties of N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide?
N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide has a molecular weight of 346.43 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]pentanamide is sourced from PubChem (CID 46101113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).