N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide

C29H29N3O4 — CID 45207389

IUPACN-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide
SMILESCc1oc(-c2ccccc2NC(=O)CCOc2ccccc2)nc1CNC(=O)C(C)c1ccccc1
InChIInChI=1S/C29H29N3O4/c1-20(22-11-5-3-6-12-22)28(34)30-19-26-21(2)36-29(32-26)24-15-9-10-16-25(24)31-27(33)17-18-35-23-13-7-4-8-14-23/h3-16,20H,17-19H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyDKDVWABUMXVOFR-UHFFFAOYSA-N
MW483.57 g/mol
LogP5.48
Rot. Bonds10

About N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide

N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide (PubChem CID 45207389) has the molecular formula C29H29N3O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide
PubChem CID45207389
Molecular FormulaC29H29N3O4
Molecular Weight483.57 g/mol
Exact Mass483.22
IUPAC NameN-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide
SMILESCc1oc(-c2ccccc2NC(=O)CCOc2ccccc2)nc1CNC(=O)C(C)c1ccccc1
InChIInChI=1S/C29H29N3O4/c1-20(22-11-5-3-6-12-22)28(34)30-19-26-21(2)36-29(32-26)24-15-9-10-16-25(24)31-27(33)17-18-35-23-13-7-4-8-14-23/h3-16,20H,17-19H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyDKDVWABUMXVOFR-UHFFFAOYSA-N
XLogP5.48
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide
CID 118758671
N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118755297
N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
CID 42433589
methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate
CID 42455839
(3R)-3-methyl-N-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]pentanamide
CID 42407808
N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide
CID 110358500
N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide
CID 118755607
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 26362359
N-[2-(1-hydroxyethyl)phenyl]-3-phenoxypropanamide
CID 43508522
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide
CID 30333454
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide
CID 110641138

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide?
The IUPAC name of N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide (CID 45207389) is N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide.
What is the SMILES notation for N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide?
The canonical SMILES for N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide is Cc1oc(-c2ccccc2NC(=O)CCOc2ccccc2)nc1CNC(=O)C(C)c1ccccc1.
What is the InChIKey of N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide?
The InChIKey is DKDVWABUMXVOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4/c1-20(22-11-5-3-6-12-22)28(34)30-19-26-21(2)36-29(32-26)24-15-9-10-16-25(24)31-27(33)17-18-35-23-13-7-4-8-14-23/h3-16,20H,17-19H2,1-2H3,(H,30,34)(H,31,33).
What are the key properties of N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide?
N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide has a molecular weight of 483.57 g/mol, XLogP of 5.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 45207389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).