N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

C18H25N3O2 — CID 86921369

IUPACN-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)N(C)C3CCCCC3)c2C)no1
InChIInChI=1S/C18H25N3O2/c1-12-10-16(14(3)21(12)17-11-13(2)23-19-17)18(22)20(4)15-8-6-5-7-9-15/h10-11,15H,5-9H2,1-4H3
InChIKeyFNLNRMSQPUMNNF-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.80
Rot. Bonds3

About N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (PubChem CID 86921369) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
PubChem CID86921369
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)N(C)C3CCCCC3)c2C)no1
InChIInChI=1S/C18H25N3O2/c1-12-10-16(14(3)21(12)17-11-13(2)23-19-17)18(22)20(4)15-8-6-5-7-9-15/h10-11,15H,5-9H2,1-4H3
InChIKeyFNLNRMSQPUMNNF-UHFFFAOYSA-N
XLogP3.80
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The IUPAC name of N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (CID 86921369) is N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is Cc1cc(-n2c(C)cc(C(=O)N(C)C3CCCCC3)c2C)no1.
What is the InChIKey of N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The InChIKey is FNLNRMSQPUMNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-10-16(14(3)21(12)17-11-13(2)23-19-17)18(22)20(4)15-8-6-5-7-9-15/h10-11,15H,5-9H2,1-4H3.
What are the key properties of N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 86921369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).