1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide

C17H29N3O2 — CID 71999875

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NCc2nc(C)c(C)o2)CCCCC1
InChIInChI=1S/C17H29N3O2/c1-5-20(6-2)16(21)17(10-8-7-9-11-17)18-12-15-19-13(3)14(4)22-15/h18H,5-12H2,1-4H3
InChIKeyUERAQHOJWGMDDF-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.95
Rot. Bonds6

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide (PubChem CID 71999875) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide
PubChem CID71999875
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NCc2nc(C)c(C)o2)CCCCC1
InChIInChI=1S/C17H29N3O2/c1-5-20(6-2)16(21)17(10-8-7-9-11-17)18-12-15-19-13(3)14(4)22-15/h18H,5-12H2,1-4H3
InChIKeyUERAQHOJWGMDDF-UHFFFAOYSA-N
XLogP2.95
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide (CID 71999875) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide is CCN(CC)C(=O)C1(NCc2nc(C)c(C)o2)CCCCC1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide?
The InChIKey is UERAQHOJWGMDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-5-20(6-2)16(21)17(10-8-7-9-11-17)18-12-15-19-13(3)14(4)22-15/h18H,5-12H2,1-4H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide is sourced from PubChem (CID 71999875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).