N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide

C19H21FN2O3 — CID 25375834

IUPACN-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCN(C(=O)c1coc(COc2ccc(F)cc2)n1)C(C1CC1)C1CC1
InChIInChI=1S/C19H21FN2O3/c1-22(18(12-2-3-12)13-4-5-13)19(23)16-10-25-17(21-16)11-24-15-8-6-14(20)7-9-15/h6-10,12-13,18H,2-5,11H2,1H3
InChIKeyJMPNGXWBUYTSOZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.65
Rot. Bonds7

About N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide

N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 25375834) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID25375834
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCN(C(=O)c1coc(COc2ccc(F)cc2)n1)C(C1CC1)C1CC1
InChIInChI=1S/C19H21FN2O3/c1-22(18(12-2-3-12)13-4-5-13)19(23)16-10-25-17(21-16)11-24-15-8-6-14(20)7-9-15/h6-10,12-13,18H,2-5,11H2,1H3
InChIKeyJMPNGXWBUYTSOZ-UHFFFAOYSA-N
XLogP3.65
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56708039
[2-[(4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 25446692
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazole-4-carboxamide
CID 45208937
2-[(4-fluorophenoxy)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]-1,3-oxazole-4-carboxamide
CID 42395827
N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56714469
2-(1,3-benzodioxol-5-yloxymethyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide
CID 42460835
N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 72881785
2-[(4-fluorophenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-oxazole-4-carboxamide
CID 42216036
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42240074
2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 95204805
2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 95469386

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 25375834) is N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide is CN(C(=O)c1coc(COc2ccc(F)cc2)n1)C(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is JMPNGXWBUYTSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-22(18(12-2-3-12)13-4-5-13)19(23)16-10-25-17(21-16)11-24-15-8-6-14(20)7-9-15/h6-10,12-13,18H,2-5,11H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 25375834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).