1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea

C18H19F3N4O4 — CID 146088616

IUPAC1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea
SMILESCc1cc(CN(C)C(=O)NC2CCN(c3cccc(OC(F)(F)F)c3)C2=O)no1
InChIInChI=1S/C18H19F3N4O4/c1-11-8-12(23-29-11)10-24(2)17(27)22-15-6-7-25(16(15)26)13-4-3-5-14(9-13)28-18(19,20)21/h3-5,8-9,15H,6-7,10H2,1-2H3,(H,22,27)
InChIKeyOAZWNOAHBWEFKJ-UHFFFAOYSA-N
MW412.37 g/mol
LogP2.83
Rot. Bonds5

About 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea

1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea (PubChem CID 146088616) has the molecular formula C18H19F3N4O4 and a molecular weight of 412.37 g/mol. Its IUPAC name is 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea
PubChem CID146088616
Molecular FormulaC18H19F3N4O4
Molecular Weight412.37 g/mol
Exact Mass412.14
IUPAC Name1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea
SMILESCc1cc(CN(C)C(=O)NC2CCN(c3cccc(OC(F)(F)F)c3)C2=O)no1
InChIInChI=1S/C18H19F3N4O4/c1-11-8-12(23-29-11)10-24(2)17(27)22-15-6-7-25(16(15)26)13-4-3-5-14(9-13)28-18(19,20)21/h3-5,8-9,15H,6-7,10H2,1-2H3,(H,22,27)
InChIKeyOAZWNOAHBWEFKJ-UHFFFAOYSA-N
XLogP2.83
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 72376212
CID 72376212
N-Cyclopentylcarbamoylmethyl-N-(3-methoxy-phenyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3210768
3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 25163106
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 25163236
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24981267
N-((5-(2,4-difluorophenyl)isoxazol-3-yl)methyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44044732
3-(2,5-Difluoro-4-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 71920219
1-(1-(4-Methoxyphenyl)-5-oxopyrrolidin-3-yl)-3-(5-methylisoxazol-3-yl)urea
CID 18564291
N-(2-methoxyphenyl)-2-(3-methyl-5-isoxazolyl)-1-pyrrolidinecarboxamide
CID 42962723
N-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47000833
N-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47000834
N-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47000916

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea?
The IUPAC name of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea (CID 146088616) is 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea?
The canonical SMILES for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea is Cc1cc(CN(C)C(=O)NC2CCN(c3cccc(OC(F)(F)F)c3)C2=O)no1.
What is the InChIKey of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea?
The InChIKey is OAZWNOAHBWEFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O4/c1-11-8-12(23-29-11)10-24(2)17(27)22-15-6-7-25(16(15)26)13-4-3-5-14(9-13)28-18(19,20)21/h3-5,8-9,15H,6-7,10H2,1-2H3,(H,22,27).
What are the key properties of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea?
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea has a molecular weight of 412.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea is sourced from PubChem (CID 146088616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).