N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide

C16H25N3O2 — CID 46366620

IUPACN-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1C1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-11-15(12(2)21-18-11)14-9-6-10-19(14)16(20)17-13-7-4-3-5-8-13/h13-14H,3-10H2,1-2H3,(H,17,20)
InChIKeyBDIKLWAUEXPQTC-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.47
Rot. Bonds2

About N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide

N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 46366620) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID46366620
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1C1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-11-15(12(2)21-18-11)14-9-6-10-19(14)16(20)17-13-7-4-3-5-8-13/h13-14H,3-10H2,1-2H3,(H,17,20)
InChIKeyBDIKLWAUEXPQTC-UHFFFAOYSA-N
XLogP3.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (CID 46366620) is N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is Cc1noc(C)c1C1CCCN1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is BDIKLWAUEXPQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-15(12(2)21-18-11)14-9-6-10-19(14)16(20)17-13-7-4-3-5-8-13/h13-14H,3-10H2,1-2H3,(H,17,20).
What are the key properties of N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 46366620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).