N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide

C21H20FN3O3 — CID 110354604

IUPACN-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
SMILESCc1oc(-c2ccccc2F)nc1CC(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C21H20FN3O3/c1-14-18(25-21(28-14)16-9-5-6-10-17(16)22)13-19(26)23-11-12-24-20(27)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyMUNSFRMNFZCBMX-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.88
Rot. Bonds7

About N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide

N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide (PubChem CID 110354604) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
PubChem CID110354604
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
SMILESCc1oc(-c2ccccc2F)nc1CC(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C21H20FN3O3/c1-14-18(25-21(28-14)16-9-5-6-10-17(16)22)13-19(26)23-11-12-24-20(27)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyMUNSFRMNFZCBMX-UHFFFAOYSA-N
XLogP2.88
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-2-phenylacetamide
CID 110641249
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110408532
3-chloro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641258
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide
CID 110354976
N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110417932
N-[2-(2-hydroxyphenyl)ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110614800
N-(3,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356063
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356056
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110428837
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110607521
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide (CID 110354604) is N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide is Cc1oc(-c2ccccc2F)nc1CC(=O)NCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide?
The InChIKey is MUNSFRMNFZCBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-14-18(25-21(28-14)16-9-5-6-10-17(16)22)13-19(26)23-11-12-24-20(27)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide?
N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide has a molecular weight of 381.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 110354604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).