N-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide

C18H26N2O2S — CID 59436831

IUPACN-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)N[C@@H]2CC3CC[C@@H]2C3)c1SC1CCCCC1
InChIInChI=1S/C18H26N2O2S/c1-11-17(23-14-5-3-2-4-6-14)16(22-20-11)18(21)19-15-10-12-7-8-13(15)9-12/h12-15H,2-10H2,1H3,(H,19,21)/t12?,13-,15-/m1/s1
InChIKeyPHELTPZRODXFQC-JYRZLJSNSA-N
MW334.49 g/mol
LogP4.33
Rot. Bonds4

About N-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide

N-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 59436831) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID59436831
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)N[C@@H]2CC3CC[C@@H]2C3)c1SC1CCCCC1
InChIInChI=1S/C18H26N2O2S/c1-11-17(23-14-5-3-2-4-6-14)16(22-20-11)18(21)19-15-10-12-7-8-13(15)9-12/h12-15H,2-10H2,1H3,(H,19,21)/t12?,13-,15-/m1/s1
InChIKeyPHELTPZRODXFQC-JYRZLJSNSA-N
XLogP4.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide (CID 59436831) is N-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide is Cc1noc(C(=O)N[C@@H]2CC3CC[C@@H]2C3)c1SC1CCCCC1.
What is the InChIKey of N-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is PHELTPZRODXFQC-JYRZLJSNSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-11-17(23-14-5-3-2-4-6-14)16(22-20-11)18(21)19-15-10-12-7-8-13(15)9-12/h12-15H,2-10H2,1H3,(H,19,21)/t12?,13-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide?
N-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexylsulfanyl-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 59436831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).