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

C16H20FN3O2 — CID 71866828

IUPACN-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(C)c1ccc(CNC(=O)Cc2cc(C)on2)cc1F
InChIInChI=1S/C16H20FN3O2/c1-4-20(3)15-6-5-12(8-14(15)17)10-18-16(21)9-13-7-11(2)22-19-13/h5-8H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyKCQOSBUJIHOPBN-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.44
Rot. Bonds6

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

N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 71866828) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID71866828
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(C)c1ccc(CNC(=O)Cc2cc(C)on2)cc1F
InChIInChI=1S/C16H20FN3O2/c1-4-20(3)15-6-5-12(8-14(15)17)10-18-16(21)9-13-7-11(2)22-19-13/h5-8H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyKCQOSBUJIHOPBN-UHFFFAOYSA-N
XLogP2.44
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110410345
2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110410763
3-(4-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47729327
2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-methylphenyl)butyl]acetamide
CID 110627918
N-(3,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110428961
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 108997916
2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 30850612
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 71890010
N-(5-fluoro-2-hydroxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 75433797
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723

Frequently Asked Questions

What is the IUPAC name of N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 71866828) is N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is CCN(C)c1ccc(CNC(=O)Cc2cc(C)on2)cc1F.
What is the InChIKey of N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is KCQOSBUJIHOPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-4-20(3)15-6-5-12(8-14(15)17)10-18-16(21)9-13-7-11(2)22-19-13/h5-8H,4,9-10H2,1-3H3,(H,18,21).
What are the key properties of N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 305.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 71866828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).