N-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide

C20H17N3O2 — CID 66848265

IUPACN-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide
SMILESCCC(=O)N(Cc1cccc(-c2cnoc2)c1)c1cccc(C#N)c1
InChIInChI=1S/C20H17N3O2/c1-2-20(24)23(19-8-4-5-15(10-19)11-21)13-16-6-3-7-17(9-16)18-12-22-25-14-18/h3-10,12,14H,2,13H2,1H3
InChIKeyMSYJXVQXJREXMT-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.16
Rot. Bonds5

About N-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide

N-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide (PubChem CID 66848265) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide
PubChem CID66848265
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide
SMILESCCC(=O)N(Cc1cccc(-c2cnoc2)c1)c1cccc(C#N)c1
InChIInChI=1S/C20H17N3O2/c1-2-20(24)23(19-8-4-5-15(10-19)11-21)13-16-6-3-7-17(9-16)18-12-22-25-14-18/h3-10,12,14H,2,13H2,1H3
InChIKeyMSYJXVQXJREXMT-UHFFFAOYSA-N
XLogP4.16
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide?
The IUPAC name of N-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide (CID 66848265) is N-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide is CCC(=O)N(Cc1cccc(-c2cnoc2)c1)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide?
The InChIKey is MSYJXVQXJREXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-2-20(24)23(19-8-4-5-15(10-19)11-21)13-16-6-3-7-17(9-16)18-12-22-25-14-18/h3-10,12,14H,2,13H2,1H3.
What are the key properties of N-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide?
N-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide has a molecular weight of 331.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-[[3-(1,2-oxazol-4-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 66848265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).