N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C20H21N3O4 — CID 167846132

IUPACN-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(C(=O)Nc1ccc(C2CNCCO2)cc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C20H21N3O4/c1-13(23-16-4-2-3-5-17(16)27-20(23)25)19(24)22-15-8-6-14(7-9-15)18-12-21-10-11-26-18/h2-9,13,18,21H,10-12H2,1H3,(H,22,24)
InChIKeyLUWRTJQUVNLGNR-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.46
Rot. Bonds4

About N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 167846132) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID167846132
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(C(=O)Nc1ccc(C2CNCCO2)cc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C20H21N3O4/c1-13(23-16-4-2-3-5-17(16)27-20(23)25)19(24)22-15-8-6-14(7-9-15)18-12-21-10-11-26-18/h2-9,13,18,21H,10-12H2,1H3,(H,22,24)
InChIKeyLUWRTJQUVNLGNR-UHFFFAOYSA-N
XLogP2.46
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886772
N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886763
N-[4-(cyanomethyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611025
methyl 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 24608479
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
CID 67241922
N-hydroxy-2-(4-morpholin-2-ylphenyl)-2-phenylacetamide
CID 175263952
tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363
2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 129387150
1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
CID 67239601
(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 95580528
(2R)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 95580526

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 167846132) is N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CC(C(=O)Nc1ccc(C2CNCCO2)cc1)n1c(=O)oc2ccccc21.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is LUWRTJQUVNLGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13(23-16-4-2-3-5-17(16)27-20(23)25)19(24)22-15-8-6-14(7-9-15)18-12-21-10-11-26-18/h2-9,13,18,21H,10-12H2,1H3,(H,22,24).
What are the key properties of N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 367.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 167846132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).