N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C20H28N2O4 — CID 30544768

IUPACN-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCCCCOCCCNC(=O)c1ccccc1OCc1c(C)noc1C
InChIInChI=1S/C20H28N2O4/c1-4-5-12-24-13-8-11-21-20(23)17-9-6-7-10-19(17)25-14-18-15(2)22-26-16(18)3/h6-7,9-10H,4-5,8,11-14H2,1-3H3,(H,21,23)
InChIKeyOGJXZSFWXFEMOE-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.81
Rot. Bonds11

About N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 30544768) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID30544768
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCCCCOCCCNC(=O)c1ccccc1OCc1c(C)noc1C
InChIInChI=1S/C20H28N2O4/c1-4-5-12-24-13-8-11-21-20(23)17-9-6-7-10-19(17)25-14-18-15(2)22-26-16(18)3/h6-7,9-10H,4-5,8,11-14H2,1-3H3,(H,21,23)
InChIKeyOGJXZSFWXFEMOE-UHFFFAOYSA-N
XLogP3.81
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 25163296
4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
CID 35781681
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 30533521
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide
CID 25336848
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445543
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 42989993
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide
CID 29363899
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-6-methylheptan-2-yl]benzamide
CID 29363896
N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 43005699

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 30544768) is N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is CCCCOCCCNC(=O)c1ccccc1OCc1c(C)noc1C.
What is the InChIKey of N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is OGJXZSFWXFEMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-4-5-12-24-13-8-11-21-20(23)17-9-6-7-10-19(17)25-14-18-15(2)22-26-16(18)3/h6-7,9-10H,4-5,8,11-14H2,1-3H3,(H,21,23).
What are the key properties of N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 360.45 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 30544768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).