N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide

C21H22FN3O2 — CID 110673661

IUPACN-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCN(CCc1ccncc1)C(=O)Cc1nc(-c2ccc(F)cc2)oc1C
InChIInChI=1S/C21H22FN3O2/c1-3-25(13-10-16-8-11-23-12-9-16)20(26)14-19-15(2)27-21(24-19)17-4-6-18(22)7-5-17/h4-9,11-12H,3,10,13-14H2,1-2H3
InChIKeyKMDDCAVQTOQGFY-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.82
Rot. Bonds7

About N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide

N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 110673661) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID110673661
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCN(CCc1ccncc1)C(=O)Cc1nc(-c2ccc(F)cc2)oc1C
InChIInChI=1S/C21H22FN3O2/c1-3-25(13-10-16-8-11-23-12-9-16)20(26)14-19-15(2)27-21(24-19)17-4-6-18(22)7-5-17/h4-9,11-12H,3,10,13-14H2,1-2H3
InChIKeyKMDDCAVQTOQGFY-UHFFFAOYSA-N
XLogP3.82
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108512603
3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82131267
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110611766
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea
CID 108902141
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide
CID 110414855
2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110767676
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyridin-4-ylethyl)acetamide
CID 121359791
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 60558436
N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110679621

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide (CID 110673661) is N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide is CCN(CCc1ccncc1)C(=O)Cc1nc(-c2ccc(F)cc2)oc1C.
What is the InChIKey of N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is KMDDCAVQTOQGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-3-25(13-10-16-8-11-23-12-9-16)20(26)14-19-15(2)27-21(24-19)17-4-6-18(22)7-5-17/h4-9,11-12H,3,10,13-14H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide?
N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 367.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 110673661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).