N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide

C23H28N2O2 — CID 139579499

IUPACN-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide
SMILESCCC(C)C(NC(C)=O)C1=N[C@@H](Cc2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C23H28N2O2/c1-4-16(2)22(24-17(3)26)23-25-21(15-27-23)14-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16,21-22H,4,14-15H2,1-3H3,(H,24,26)/t16?,21-,22?/m0/s1
InChIKeyWIGGKGGXLKLIAC-QJVIICBYSA-N
MW364.49 g/mol
LogP4.24
Rot. Bonds7

About N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide

N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide (PubChem CID 139579499) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide
PubChem CID139579499
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide
SMILESCCC(C)C(NC(C)=O)C1=N[C@@H](Cc2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C23H28N2O2/c1-4-16(2)22(24-17(3)26)23-25-21(15-27-23)14-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16,21-22H,4,14-15H2,1-3H3,(H,24,26)/t16?,21-,22?/m0/s1
InChIKeyWIGGKGGXLKLIAC-QJVIICBYSA-N
XLogP4.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide?
The IUPAC name of N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide (CID 139579499) is N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide.
What is the SMILES notation for N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide?
The canonical SMILES for N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide is CCC(C)C(NC(C)=O)C1=N[C@@H](Cc2ccc(-c3ccccc3)cc2)CO1.
What is the InChIKey of N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide?
The InChIKey is WIGGKGGXLKLIAC-QJVIICBYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-16(2)22(24-17(3)26)23-25-21(15-27-23)14-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16,21-22H,4,14-15H2,1-3H3,(H,24,26)/t16?,21-,22?/m0/s1.
What are the key properties of N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide?
N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide is sourced from PubChem (CID 139579499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).