N-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide

C22H20F2N2O3 — CID 24790427

IUPACN-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(COc2c(F)cccc2F)on1)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C22H20F2N2O3/c23-18-7-4-8-19(24)21(18)28-14-17-11-20(25-29-17)22(27)26(13-16-9-10-16)12-15-5-2-1-3-6-15/h1-8,11,16H,9-10,12-14H2
InChIKeyJCSQHNDFXLNBDZ-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.58
Rot. Bonds8

About N-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide

N-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24790427) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24790427
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC NameN-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(COc2c(F)cccc2F)on1)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C22H20F2N2O3/c23-18-7-4-8-19(24)21(18)28-14-17-11-20(25-29-17)22(27)26(13-16-9-10-16)12-15-5-2-1-3-6-15/h1-8,11,16H,9-10,12-14H2
InChIKeyJCSQHNDFXLNBDZ-UHFFFAOYSA-N
XLogP4.58
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 24790427) is N-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide is O=C(c1cc(COc2c(F)cccc2F)on1)N(Cc1ccccc1)CC1CC1.
What is the InChIKey of N-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JCSQHNDFXLNBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c23-18-7-4-8-19(24)21(18)28-14-17-11-20(25-29-17)22(27)26(13-16-9-10-16)12-15-5-2-1-3-6-15/h1-8,11,16H,9-10,12-14H2.
What are the key properties of N-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyclopropylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24790427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).