N-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide

C27H34N2O8 — CID 23147261

IUPACN-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide
SMILESCCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCc1ocnc1C(=O)NC(CO)CO
InChIInChI=1S/C27H34N2O8/c1-4-20-21(10-11-22-26(28-15-35-22)27(32)29-19(13-30)14-31)25(18-8-6-5-7-9-18)24(37-17-34-3)12-23(20)36-16-33-2/h5-9,12,15,19,30-31H,4,10-11,13-14,16-17H2,1-3H3,(H,29,32)
InChIKeyGMOOFULGJRUYEE-UHFFFAOYSA-N
MW514.58 g/mol
LogP2.74
Rot. Bonds15

About N-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide

N-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 23147261) has the molecular formula C27H34N2O8 and a molecular weight of 514.58 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide
PubChem CID23147261
Molecular FormulaC27H34N2O8
Molecular Weight514.58 g/mol
Exact Mass514.23
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide
SMILESCCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCc1ocnc1C(=O)NC(CO)CO
InChIInChI=1S/C27H34N2O8/c1-4-20-21(10-11-22-26(28-15-35-22)27(32)29-19(13-30)14-31)25(18-8-6-5-7-9-18)24(37-17-34-3)12-23(20)36-16-33-2/h5-9,12,15,19,30-31H,4,10-11,13-14,16-17H2,1-3H3,(H,29,32)
InChIKeyGMOOFULGJRUYEE-UHFFFAOYSA-N
XLogP2.74
TPSA132.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide (CID 23147261) is N-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide is CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCc1ocnc1C(=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is GMOOFULGJRUYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O8/c1-4-20-21(10-11-22-26(28-15-35-22)27(32)29-19(13-30)14-31)25(18-8-6-5-7-9-18)24(37-17-34-3)12-23(20)36-16-33-2/h5-9,12,15,19,30-31H,4,10-11,13-14,16-17H2,1-3H3,(H,29,32).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 514.58 g/mol, XLogP of 2.74, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 23147261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).