(5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H22N2O2 — CID 7642879

IUPAC(5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1CC(/C=C/c2ccccc2)=NO1
InChIInChI=1S/C18H22N2O2/c21-18(19-15-9-5-2-6-10-15)17-13-16(20-22-17)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15,17H,2,5-6,9-10,13H2,(H,19,21)/b12-11+/t17-/m1/s1
InChIKeyPSAHAROAAJPCBE-FMQWLBJXSA-N
MW298.39 g/mol
LogP3.29
Rot. Bonds4

About (5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 7642879) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID7642879
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1CC(/C=C/c2ccccc2)=NO1
InChIInChI=1S/C18H22N2O2/c21-18(19-15-9-5-2-6-10-15)17-13-16(20-22-17)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15,17H,2,5-6,9-10,13H2,(H,19,21)/b12-11+/t17-/m1/s1
InChIKeyPSAHAROAAJPCBE-FMQWLBJXSA-N
XLogP3.29
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 7642879) is (5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC1CCCCC1)[C@H]1CC(/C=C/c2ccccc2)=NO1.
What is the InChIKey of (5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is PSAHAROAAJPCBE-FMQWLBJXSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18(19-15-9-5-2-6-10-15)17-13-16(20-22-17)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15,17H,2,5-6,9-10,13H2,(H,19,21)/b12-11+/t17-/m1/s1.
What are the key properties of (5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 7642879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).