N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide

C20H18N2O5 — CID 97042796

IUPACN-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H18N2O5/c23-16(14-6-7-17-19(10-14)26-12-25-17)8-9-21-20(24)15-11-18(27-22-15)13-4-2-1-3-5-13/h1-7,10-11,16,23H,8-9,12H2,(H,21,24)/t16-/m1/s1
InChIKeyQXHJLEVJCOOFIK-MRXNPFEDSA-N
MW366.37 g/mol
LogP2.92
Rot. Bonds6

About N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 97042796) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID97042796
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H18N2O5/c23-16(14-6-7-17-19(10-14)26-12-25-17)8-9-21-20(24)15-11-18(27-22-15)13-4-2-1-3-5-13/h1-7,10-11,16,23H,8-9,12H2,(H,21,24)/t16-/m1/s1
InChIKeyQXHJLEVJCOOFIK-MRXNPFEDSA-N
XLogP2.92
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39444927
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide
CID 97106108
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide
CID 121132420
5-(1,3-benzodioxol-5-yl)-N-butyl-1,2-oxazole-3-carboxamide
CID 15994188
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 97042822
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3,4-difluorobenzamide
CID 97042754
5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 46087349
N'-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N-propyloxamide
CID 121132594
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-2-methoxyacetamide
CID 121132365
1-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804381

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 97042796) is N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is QXHJLEVJCOOFIK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-16(14-6-7-17-19(10-14)26-12-25-17)8-9-21-20(24)15-11-18(27-22-15)13-4-2-1-3-5-13/h1-7,10-11,16,23H,8-9,12H2,(H,21,24)/t16-/m1/s1.
What are the key properties of N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 97042796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).