3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide

C19H20N2O3 — CID 27844689

IUPAC3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NCCCc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-18(20-13-6-9-15-7-2-1-3-8-15)12-14-21-16-10-4-5-11-17(16)24-19(21)23/h1-5,7-8,10-11H,6,9,12-14H2,(H,20,22)
InChIKeyCWTSHVXZZYAMQT-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.73
Rot. Bonds7

About 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide

3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide (PubChem CID 27844689) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide
PubChem CID27844689
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NCCCc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-18(20-13-6-9-15-7-2-1-3-8-15)12-14-21-16-10-4-5-11-17(16)24-19(21)23/h1-5,7-8,10-11H,6,9,12-14H2,(H,20,22)
InChIKeyCWTSHVXZZYAMQT-UHFFFAOYSA-N
XLogP2.73
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 27990436
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7105736
N-(2-benzylsulfanylethyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18195767
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 111429592
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 7974357
N-butyl-4-[[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzamide
CID 86986290
N-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3622363
methyl 6-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]hexanoate
CID 9221034
N-[(4-cyanophenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 52571612
N-(4-morpholin-4-ylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 47041811
N-[3-(1,2-oxazol-4-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91814413

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide (CID 27844689) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide is O=C(CCn1c(=O)oc2ccccc21)NCCCc1ccccc1.
What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide?
The InChIKey is CWTSHVXZZYAMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(20-13-6-9-15-7-2-1-3-8-15)12-14-21-16-10-4-5-11-17(16)24-19(21)23/h1-5,7-8,10-11H,6,9,12-14H2,(H,20,22).
What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide?
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 27844689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).