N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide

C21H21FN2O3 — CID 35344022

IUPACN-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C21H21FN2O3/c1-2-3-4-13-26-18-11-7-16(8-12-18)21(25)23-20-14-19(24-27-20)15-5-9-17(22)10-6-15/h5-12,14H,2-4,13H2,1H3,(H,23,25)
InChIKeyGPGIWWMKEDWGKP-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.30
Rot. Bonds8

About N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide

N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide (PubChem CID 35344022) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide
PubChem CID35344022
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C21H21FN2O3/c1-2-3-4-13-26-18-11-7-16(8-12-18)21(25)23-20-14-19(24-27-20)15-5-9-17(22)10-6-15/h5-12,14H,2-4,13H2,1H3,(H,23,25)
InChIKeyGPGIWWMKEDWGKP-UHFFFAOYSA-N
XLogP5.30
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide
CID 17014692
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide
CID 17014685
methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate
CID 174638480
4-heptoxy-N-[4-[4-[(4-heptoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4951178
(2R)-2-(4-fluorophenoxy)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]butanamide
CID 40775968
phosphoroso 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoate
CID 121382191
(4-decoxyphenyl) 3-(4-decoxyphenyl)-1,2-oxazole-5-carboxylate
CID 102279891
5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole
CID 57498270
4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 3324314
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide (CID 35344022) is N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide?
The InChIKey is GPGIWWMKEDWGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-2-3-4-13-26-18-11-7-16(8-12-18)21(25)23-20-14-19(24-27-20)15-5-9-17(22)10-6-15/h5-12,14H,2-4,13H2,1H3,(H,23,25).
What are the key properties of N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide?
N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide has a molecular weight of 368.41 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide is sourced from PubChem (CID 35344022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).