N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide

C22H34N2O3 — CID 59968039

IUPACN-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide
SMILESCCCCCCCC(CCOC[C@@H]1COC(c2ccccc2)=N1)NC(C)=O
InChIInChI=1S/C22H34N2O3/c1-3-4-5-6-10-13-20(23-18(2)25)14-15-26-16-21-17-27-22(24-21)19-11-8-7-9-12-19/h7-9,11-12,20-21H,3-6,10,13-17H2,1-2H3,(H,23,25)/t20?,21-/m1/s1
InChIKeyZSMZIAWSKALTIX-BPGUCPLFSA-N
MW374.53 g/mol
LogP4.10
Rot. Bonds13

About N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide

N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide (PubChem CID 59968039) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide
PubChem CID59968039
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide
SMILESCCCCCCCC(CCOC[C@@H]1COC(c2ccccc2)=N1)NC(C)=O
InChIInChI=1S/C22H34N2O3/c1-3-4-5-6-10-13-20(23-18(2)25)14-15-26-16-21-17-27-22(24-21)19-11-8-7-9-12-19/h7-9,11-12,20-21H,3-6,10,13-17H2,1-2H3,(H,23,25)/t20?,21-/m1/s1
InChIKeyZSMZIAWSKALTIX-BPGUCPLFSA-N
XLogP4.10
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.10
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

1-[(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methoxy]decan-3-yl dodecanoate
CID 72533442
4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 142009009
(4R)-4-(octadecoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 10025678
sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol
CID 159317676
[(3R)-3-heptylhexadecoxy]methanethiol;(4R)-4-[[(3R)-3-heptylhexadecoxy]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 158477780
(3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol
CID 69302465
(1S,2S)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadecane-1,2-diol
CID 59097365
N-pentadecan-4-ylacetamide
CID 87419548
(4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 66998047
4-(2-acetamidotetradecylamino)benzoic acid
CID 57089067
N-(1-phenylselanylhexan-2-yl)acetamide
CID 12758741
N-[2-methyl-1-[(4S)-4-[(4-phenylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide
CID 139579499

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide?
The IUPAC name of N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide (CID 59968039) is N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide.
What is the SMILES notation for N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide?
The canonical SMILES for N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide is CCCCCCCC(CCOC[C@@H]1COC(c2ccccc2)=N1)NC(C)=O.
What is the InChIKey of N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide?
The InChIKey is ZSMZIAWSKALTIX-BPGUCPLFSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-3-4-5-6-10-13-20(23-18(2)25)14-15-26-16-21-17-27-22(24-21)19-11-8-7-9-12-19/h7-9,11-12,20-21H,3-6,10,13-17H2,1-2H3,(H,23,25)/t20?,21-/m1/s1.
What are the key properties of N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide?
N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide has a molecular weight of 374.53 g/mol, XLogP of 4.10, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide is sourced from PubChem (CID 59968039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).