N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide

C21H26N4O3 — CID 91581577

IUPACN-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
SMILESCCCCC1=CC(CONC(=O)c2ccccc2NCc2ccncc2)ON1
InChIInChI=1S/C21H26N4O3/c1-2-3-6-17-13-18(28-24-17)15-27-25-21(26)19-7-4-5-8-20(19)23-14-16-9-11-22-12-10-16/h4-5,7-13,18,23-24H,2-3,6,14-15H2,1H3,(H,25,26)
InChIKeyFIJJTJUEYZXBRQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.33
Rot. Bonds10

About N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide

N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide (PubChem CID 91581577) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
PubChem CID91581577
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
SMILESCCCCC1=CC(CONC(=O)c2ccccc2NCc2ccncc2)ON1
InChIInChI=1S/C21H26N4O3/c1-2-3-6-17-13-18(28-24-17)15-27-25-21(26)19-7-4-5-8-20(19)23-14-16-9-11-22-12-10-16/h4-5,7-13,18,23-24H,2-3,6,14-15H2,1H3,(H,25,26)
InChIKeyFIJJTJUEYZXBRQ-UHFFFAOYSA-N
XLogP3.33
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91261880
N-[(4-pentoxyphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989953
N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11151978
N-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide
CID 91317046
N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 87281754
N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11244953
N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91322862
2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide
CID 11739316
N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
CID 87281885
N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 143056719
N-[(4-cyanophenyl)methoxy]-2-[2-(3-ethyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide
CID 91252913
2-(pyridin-4-ylmethylamino)-N-[[2-(trifluoromethylsulfanyl)phenyl]methoxy]benzamide
CID 58989986

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide (CID 91581577) is N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide is CCCCC1=CC(CONC(=O)c2ccccc2NCc2ccncc2)ON1.
What is the InChIKey of N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is FIJJTJUEYZXBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-3-6-17-13-18(28-24-17)15-27-25-21(26)19-7-4-5-8-20(19)23-14-16-9-11-22-12-10-16/h4-5,7-13,18,23-24H,2-3,6,14-15H2,1H3,(H,25,26).
What are the key properties of N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.33, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 91581577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).