2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

C20H18FN3O3 — CID 25257107

IUPAC2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESO=C(CC1=CCN(c2ccc(F)cc2)CC1)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C20H18FN3O3/c21-14-1-4-16(5-2-14)24-9-7-13(8-10-24)11-19(25)22-15-3-6-17-18(12-15)27-20(26)23-17/h1-7,12H,8-11H2,(H,22,25)(H,23,26)
InChIKeyTUOXHXOQZJOUKP-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.43
Rot. Bonds4

About 2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (PubChem CID 25257107) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
PubChem CID25257107
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESO=C(CC1=CCN(c2ccc(F)cc2)CC1)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C20H18FN3O3/c21-14-1-4-16(5-2-14)24-9-7-13(8-10-24)11-19(25)22-15-3-6-17-18(12-15)27-20(26)23-17/h1-7,12H,8-11H2,(H,22,25)(H,23,26)
InChIKeyTUOXHXOQZJOUKP-UHFFFAOYSA-N
XLogP3.43
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-fluorophenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 25256884
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
2-(4-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662130
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
5-(4-fluorophenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanamide
CID 110616402
2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 24809573
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide
CID 25260087
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
2-[4-methyl-4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexen-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 143476785
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110616378
2-[(3R)-4-[4-chloro-3-(methoxymethyl)phenyl]-3-methylpiperazin-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 25196005
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoate
CID 110662078

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (CID 25257107) is 2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is O=C(CC1=CCN(c2ccc(F)cc2)CC1)Nc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is TUOXHXOQZJOUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c21-14-1-4-16(5-2-14)24-9-7-13(8-10-24)11-19(25)22-15-3-6-17-18(12-15)27-20(26)23-17/h1-7,12H,8-11H2,(H,22,25)(H,23,26).
What are the key properties of 2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 367.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 25257107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).