N-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide

C25H26FN3O2 — CID 24718143

IUPACN-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESO=C(c1cccc(F)c1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC1CC1
InChIInChI=1S/C25H26FN3O2/c26-21-10-6-9-20(15-21)24(30)29(16-18-11-12-18)17-22-23(19-7-2-1-3-8-19)27-31-25(22)28-13-4-5-14-28/h1-3,6-10,15,18H,4-5,11-14,16-17H2
InChIKeyXFYORWBMFIQISD-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.13
Rot. Bonds7

About N-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide

N-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (PubChem CID 24718143) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
PubChem CID24718143
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESO=C(c1cccc(F)c1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC1CC1
InChIInChI=1S/C25H26FN3O2/c26-21-10-6-9-20(15-21)24(30)29(16-18-11-12-18)17-22-23(19-7-2-1-3-8-19)27-31-25(22)28-13-4-5-14-28/h1-3,6-10,15,18H,4-5,11-14,16-17H2
InChIKeyXFYORWBMFIQISD-UHFFFAOYSA-N
XLogP5.13
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (CID 24718143) is N-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is O=C(c1cccc(F)c1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The InChIKey is XFYORWBMFIQISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c26-21-10-6-9-20(15-21)24(30)29(16-18-11-12-18)17-22-23(19-7-2-1-3-8-19)27-31-25(22)28-13-4-5-14-28/h1-3,6-10,15,18H,4-5,11-14,16-17H2.
What are the key properties of N-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
N-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide has a molecular weight of 419.50 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 24718143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).