(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide

C21H24N2O4 — CID 51649204

IUPAC(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide
SMILESC[C@H](OCCCNC(=O)[C@H](C)n1c(=O)oc2ccccc21)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-15(23-18-11-6-7-12-19(18)27-21(23)25)20(24)22-13-8-14-26-16(2)17-9-4-3-5-10-17/h3-7,9-12,15-16H,8,13-14H2,1-2H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyHQCPESGPLRCYRN-HOTGVXAUSA-N
MW368.43 g/mol
LogP3.44
Rot. Bonds8

About (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide

(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide (PubChem CID 51649204) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide
PubChem CID51649204
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide
SMILESC[C@H](OCCCNC(=O)[C@H](C)n1c(=O)oc2ccccc21)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-15(23-18-11-6-7-12-19(18)27-21(23)25)20(24)22-13-8-14-26-16(2)17-9-4-3-5-10-17/h3-7,9-12,15-16H,8,13-14H2,1-2H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyHQCPESGPLRCYRN-HOTGVXAUSA-N
XLogP3.44
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[3-(3-methylphenoxy)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 35888292
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 134006814
N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 75866987
2-(diethylamino)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56538597
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119063791
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 134036586
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
CID 126444906
N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 17465860
N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886772
2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 120666814

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide?
The IUPAC name of (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide (CID 51649204) is (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide.
What is the SMILES notation for (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide?
The canonical SMILES for (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide is C[C@H](OCCCNC(=O)[C@H](C)n1c(=O)oc2ccccc21)c1ccccc1.
What is the InChIKey of (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide?
The InChIKey is HQCPESGPLRCYRN-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15(23-18-11-6-7-12-19(18)27-21(23)25)20(24)22-13-8-14-26-16(2)17-9-4-3-5-10-17/h3-7,9-12,15-16H,8,13-14H2,1-2H3,(H,22,24)/t15-,16-/m0/s1.
What are the key properties of (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide?
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide has a molecular weight of 368.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide is sourced from PubChem (CID 51649204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).