N'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide

C23H25N3O3 — CID 97018830

IUPACN'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide
SMILESCC(C)c1cc(NC(=O)C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)no1
InChIInChI=1S/C23H25N3O3/c1-16(2)20-15-21(26-29-20)25-23(28)22(27)24-19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,15-16,19H,13-14H2,1-2H3,(H,24,27)(H,25,26,28)/t19-/m0/s1
InChIKeyQDGDMCTUJTYECL-IBGZPJMESA-N
MW391.47 g/mol
LogP4.23
Rot. Bonds7

About N'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide

N'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide (PubChem CID 97018830) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide
PubChem CID97018830
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide
SMILESCC(C)c1cc(NC(=O)C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)no1
InChIInChI=1S/C23H25N3O3/c1-16(2)20-15-21(26-29-20)25-23(28)22(27)24-19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,15-16,19H,13-14H2,1-2H3,(H,24,27)(H,25,26,28)/t19-/m0/s1
InChIKeyQDGDMCTUJTYECL-IBGZPJMESA-N
XLogP4.23
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1,3-diphenylpropyl]propanamide
CID 138984444
N-(1,3-diphenylpropyl)-2-methyl-3-(methylamino)propanamide
CID 119737624
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057
4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 136528969
2-(1,3-diphenylpropylamino)propanamide
CID 70078545
N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide
CID 97003698
N-(1,3-diphenylpropyl)-2-methylcyclopropane-1-carboxamide
CID 56796182
4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid
CID 167797466
N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide
CID 41452995
N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide
CID 51973354
N-(1,3-diphenylpropyl)-2-(2-methoxyethylamino)acetamide
CID 119737630

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide (CID 97018830) is N'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide is CC(C)c1cc(NC(=O)C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)no1.
What is the InChIKey of N'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide?
The InChIKey is QDGDMCTUJTYECL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(2)20-15-21(26-29-20)25-23(28)22(27)24-19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,15-16,19H,13-14H2,1-2H3,(H,24,27)(H,25,26,28)/t19-/m0/s1.
What are the key properties of N'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide?
N'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide has a molecular weight of 391.47 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-1,3-diphenylpropyl]-N-(5-propan-2-yl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 97018830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).