N-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

C19H22FN3O4 — CID 70343309

IUPACN-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CC(c2ccc(C3=CCNC(C(=O)CO)C3)c(F)c2)=NO1
InChIInChI=1S/C19H22FN3O4/c1-11(25)22-9-14-8-17(23-27-14)13-2-3-15(16(20)6-13)12-4-5-21-18(7-12)19(26)10-24/h2-4,6,14,18,21,24H,5,7-10H2,1H3,(H,22,25)
InChIKeyJDUWCPBJJIERPA-UHFFFAOYSA-N
MW375.40 g/mol
LogP0.76
Rot. Bonds6

About N-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 70343309) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID70343309
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC NameN-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CC(c2ccc(C3=CCNC(C(=O)CO)C3)c(F)c2)=NO1
InChIInChI=1S/C19H22FN3O4/c1-11(25)22-9-14-8-17(23-27-14)13-2-3-15(16(20)6-13)12-4-5-21-18(7-12)19(26)10-24/h2-4,6,14,18,21,24H,5,7-10H2,1H3,(H,22,25)
InChIKeyJDUWCPBJJIERPA-UHFFFAOYSA-N
XLogP0.76
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[3-[4-[4-[5-(acetamidomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 59749473
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 18698726
ethane;N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 143585924
2-[3-[4-[5-(acetamidomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]azetidin-1-yl]acetic acid
CID 18698738
N-[[3-[4-[4-[2-[bis(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 25253390
N-[[3-[4-[1-(2-hydroxyacetyl)-2,3,6,7-tetrahydroazepin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 18698746
N-[[(5R)-3-(3,4-difluoro-5-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 10882302
N-[[3-[3-fluoro-4-[3-fluoro-4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11719247
N-[[3-[4-(oxan-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 18698719
N-[[(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 145467368
N-[[3-[3-fluoro-4-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 25252777
N-[[3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 25074114

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (CID 70343309) is N-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is CC(=O)NCC1CC(c2ccc(C3=CCNC(C(=O)CO)C3)c(F)c2)=NO1.
What is the InChIKey of N-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is JDUWCPBJJIERPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-11(25)22-9-14-8-17(23-27-14)13-2-3-15(16(20)6-13)12-4-5-21-18(7-12)19(26)10-24/h2-4,6,14,18,21,24H,5,7-10H2,1H3,(H,22,25).
What are the key properties of N-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 375.40 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[2-(2-hydroxyacetyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 70343309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).