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

C18H22FN3O4 — CID 57233524

IUPACN-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1C=C(c2ccc(C3CCN(C(=O)CO)C3)c(F)c2)NO1
InChIInChI=1S/C18H22FN3O4/c1-11(24)20-8-14-7-17(21-26-14)12-2-3-15(16(19)6-12)13-4-5-22(9-13)18(25)10-23/h2-3,6-7,13-14,21,23H,4-5,8-10H2,1H3,(H,20,24)
InChIKeyIDQXTLCPKJWTRZ-UHFFFAOYSA-N
MW363.39 g/mol
LogP0.51
Rot. Bonds5

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

N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 57233524) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID57233524
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC NameN-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1C=C(c2ccc(C3CCN(C(=O)CO)C3)c(F)c2)NO1
InChIInChI=1S/C18H22FN3O4/c1-11(24)20-8-14-7-17(21-26-14)12-2-3-15(16(19)6-12)13-4-5-22(9-13)18(25)10-23/h2-3,6-7,13-14,21,23H,4-5,8-10H2,1H3,(H,20,24)
InChIKeyIDQXTLCPKJWTRZ-UHFFFAOYSA-N
XLogP0.51
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[3,5-difluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 56987105
N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)-2,3,6,7-tetrahydroazepin-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57064173
N-[[3-[3,5-difluoro-4-[1-(2-hydroxyacetyl)-2,3,6,7-tetrahydroazepin-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57076181
N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57077665
N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57091107
2-[3-[4-[5-(Acetamidomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]azetidin-1-yl]acetic acid
CID 57105668
N-[[3-[3-fluoro-4-(1-formylazetidin-3-yl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57125117
N-[[3-[3-fluoro-4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57126399
N-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57233056
N-[[3-[3-fluoro-4-(1-formylpyrrolidin-3-yl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57236641
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57250380
N-[[3-[3,5-difluoro-4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57252737

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (CID 57233524) is N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is CC(=O)NCC1C=C(c2ccc(C3CCN(C(=O)CO)C3)c(F)c2)NO1.
What is the InChIKey of N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is IDQXTLCPKJWTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4/c1-11(24)20-8-14-7-17(21-26-14)12-2-3-15(16(19)6-12)13-4-5-22(9-13)18(25)10-23/h2-3,6-7,13-14,21,23H,4-5,8-10H2,1H3,(H,20,24).
What are the key properties of N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 363.39 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 57233524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).