N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide

C19H20N2O2 — CID 56997971

IUPACN-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide
SMILESO=CN[C@@H](Cc1ccccc1)[C@@H]1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C19H20N2O2/c22-14-20-18(12-16-9-5-2-6-10-16)19-13-17(21-23-19)11-15-7-3-1-4-8-15/h1-10,13-14,18-19,21H,11-12H2,(H,20,22)/t18-,19-/m0/s1
InChIKeyRYAZQIFLBBFZIX-OALUTQOASA-N
MW308.38 g/mol
LogP2.37
Rot. Bonds7

About N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide

N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide (PubChem CID 56997971) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide.

Molecular Properties

Compound NameN-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide
PubChem CID56997971
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide
SMILESO=CN[C@@H](Cc1ccccc1)[C@@H]1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C19H20N2O2/c22-14-20-18(12-16-9-5-2-6-10-16)19-13-17(21-23-19)11-15-7-3-1-4-8-15/h1-10,13-14,18-19,21H,11-12H2,(H,20,22)/t18-,19-/m0/s1
InChIKeyRYAZQIFLBBFZIX-OALUTQOASA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-3-phenylpropyl)-N-phenylmethoxyformamide
CID 13242827
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]formamide
CID 19365157
N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide
CID 22885981
N-[(1S)-1-[(5R)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide
CID 22885983
N-[3-phenyl-2-(phenylmethoxyamino)propyl]formamide
CID 54263107
ethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate
CID 57026348
N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide
CID 57027039
benzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate
CID 57034837
N-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine
CID 57045459
(1R)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine
CID 57053396
(1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine
CID 57077148
1-(3-Benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine
CID 57079545

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide?
The IUPAC name of N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide (CID 56997971) is N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide.
What is the SMILES notation for N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide?
The canonical SMILES for N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide is O=CN[C@@H](Cc1ccccc1)[C@@H]1C=C(Cc2ccccc2)NO1.
What is the InChIKey of N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide?
The InChIKey is RYAZQIFLBBFZIX-OALUTQOASA-N. The full InChI is InChI=1S/C19H20N2O2/c22-14-20-18(12-16-9-5-2-6-10-16)19-13-17(21-23-19)11-15-7-3-1-4-8-15/h1-10,13-14,18-19,21H,11-12H2,(H,20,22)/t18-,19-/m0/s1.
What are the key properties of N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide?
N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide has a molecular weight of 308.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide is sourced from PubChem (CID 56997971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).