N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide

C25H29N3O3 — CID 108784875

IUPACN-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(C)c1ccc(-c2cnc(CCC(=O)Nc3ccccc3N3CCOCC3)o2)cc1
InChIInChI=1S/C25H29N3O3/c1-18(2)19-7-9-20(10-8-19)23-17-26-25(31-23)12-11-24(29)27-21-5-3-4-6-22(21)28-13-15-30-16-14-28/h3-10,17-18H,11-16H2,1-2H3,(H,27,29)
InChIKeyWUSGFRFFJFSHRU-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.87
Rot. Bonds7

About N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide

N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 108784875) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID108784875
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(C)c1ccc(-c2cnc(CCC(=O)Nc3ccccc3N3CCOCC3)o2)cc1
InChIInChI=1S/C25H29N3O3/c1-18(2)19-7-9-20(10-8-19)23-17-26-25(31-23)12-11-24(29)27-21-5-3-4-6-22(21)28-13-15-30-16-14-28/h3-10,17-18H,11-16H2,1-2H3,(H,27,29)
InChIKeyWUSGFRFFJFSHRU-UHFFFAOYSA-N
XLogP4.87
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 43039929
N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784752
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798077
N-(3-chloro-2-morpholin-4-ylphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41270984
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 16594353
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 108798031
N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776
N-(6-methyl-2-pyridinyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798165
5-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]benzene-1,3-dicarboxylic acid
CID 108784921
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798130
N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784923

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (CID 108784875) is N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is CC(C)c1ccc(-c2cnc(CCC(=O)Nc3ccccc3N3CCOCC3)o2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is WUSGFRFFJFSHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-18(2)19-7-9-20(10-8-19)23-17-26-25(31-23)12-11-24(29)27-21-5-3-4-6-22(21)28-13-15-30-16-14-28/h3-10,17-18H,11-16H2,1-2H3,(H,27,29).
What are the key properties of N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 419.53 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 108784875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).