2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide

C16H25N3O3 — CID 71853785

IUPAC2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide
SMILESCc1noc(C)c1CCC(=O)NC1CCCCCC1C(N)=O
InChIInChI=1S/C16H25N3O3/c1-10-12(11(2)22-19-10)8-9-15(20)18-14-7-5-3-4-6-13(14)16(17)21/h13-14H,3-9H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyPTBDSFPSUBHLRG-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.77
Rot. Bonds5

About 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide

2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide (PubChem CID 71853785) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide
PubChem CID71853785
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide
SMILESCc1noc(C)c1CCC(=O)NC1CCCCCC1C(N)=O
InChIInChI=1S/C16H25N3O3/c1-10-12(11(2)22-19-10)8-9-15(20)18-14-7-5-3-4-6-13(14)16(17)21/h13-14H,3-9H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyPTBDSFPSUBHLRG-UHFFFAOYSA-N
XLogP1.77
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide?
The IUPAC name of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide (CID 71853785) is 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide.
What is the SMILES notation for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide?
The canonical SMILES for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide is Cc1noc(C)c1CCC(=O)NC1CCCCCC1C(N)=O.
What is the InChIKey of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide?
The InChIKey is PTBDSFPSUBHLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10-12(11(2)22-19-10)8-9-15(20)18-14-7-5-3-4-6-13(14)16(17)21/h13-14H,3-9H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide?
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide is sourced from PubChem (CID 71853785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).