N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide

C18H20FN3O4 — CID 95707736

IUPACN-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCc1c(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)noc1C
InChIInChI=1S/C18H20FN3O4/c1-11-15(10-25-2)17(21-26-11)18(24)20-14-7-16(23)22(9-14)8-12-4-3-5-13(19)6-12/h3-6,14H,7-10H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyMFTMOFXSFXLDJR-AWEZNQCLSA-N
MW361.37 g/mol
LogP1.80
Rot. Bonds6

About N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide

N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 95707736) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID95707736
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCc1c(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)noc1C
InChIInChI=1S/C18H20FN3O4/c1-11-15(10-25-2)17(21-26-11)18(24)20-14-7-16(23)22(9-14)8-12-4-3-5-13(19)6-12/h3-6,14H,7-10H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyMFTMOFXSFXLDJR-AWEZNQCLSA-N
XLogP1.80
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 26395765
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 42526825
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 45207199
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
CID 95729706
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 26401895
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45248913
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 42094331
2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 45217130
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
CID 42307840
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42123595
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclopentanecarboxamide
CID 45202640

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 95707736) is N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide is COCc1c(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)noc1C.
What is the InChIKey of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is MFTMOFXSFXLDJR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-11-15(10-25-2)17(21-26-11)18(24)20-14-7-16(23)22(9-14)8-12-4-3-5-13(19)6-12/h3-6,14H,7-10H2,1-2H3,(H,20,24)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95707736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).