(4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide

C15H27N5O2 — CID 126443974

IUPAC(4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide
SMILESCC(C)c1nc(CNC(=O)N2CCC[C@@H](N(C)C)CC2)no1
InChIInChI=1S/C15H27N5O2/c1-11(2)14-17-13(18-22-14)10-16-15(21)20-8-5-6-12(7-9-20)19(3)4/h11-12H,5-10H2,1-4H3,(H,16,21)/t12-/m1/s1
InChIKeyCQKGYCJXEVYBSM-GFCCVEGCSA-N
MW309.41 g/mol
LogP1.82
Rot. Bonds4

About (4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide

(4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide (PubChem CID 126443974) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound Name(4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide
PubChem CID126443974
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name(4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide
SMILESCC(C)c1nc(CNC(=O)N2CCC[C@@H](N(C)C)CC2)no1
InChIInChI=1S/C15H27N5O2/c1-11(2)14-17-13(18-22-14)10-16-15(21)20-8-5-6-12(7-9-20)19(3)4/h11-12H,5-10H2,1-4H3,(H,16,21)/t12-/m1/s1
InChIKeyCQKGYCJXEVYBSM-GFCCVEGCSA-N
XLogP1.82
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide?
The IUPAC name of (4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide (CID 126443974) is (4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide.
What is the SMILES notation for (4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide?
The canonical SMILES for (4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide is CC(C)c1nc(CNC(=O)N2CCC[C@@H](N(C)C)CC2)no1.
What is the InChIKey of (4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide?
The InChIKey is CQKGYCJXEVYBSM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-11(2)14-17-13(18-22-14)10-16-15(21)20-8-5-6-12(7-9-20)19(3)4/h11-12H,5-10H2,1-4H3,(H,16,21)/t12-/m1/s1.
What are the key properties of (4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide?
(4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 126443974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).